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124 results for Pattern / motif query
Pattern / motif 124 results DB demo
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Query interpretation
Pattern registry Vnos: hba_nitrogen H-bond acceptor N
ID 2 DB demo
2D structure

Z20253414

ID 2

Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccccc1

Formula: C17H17N5O3S

MW: 371.42 | LogP: 2.19

TPSA: 102.05

Patterns:

H-bond acceptor N
Detail
ID 10 DB demo
2D structure

Z14342059

ID 10

O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sc3ccccc3n12

Formula: C24H17N5OS3

MW: 487.64 | LogP: 5.57

TPSA: 65.08

Patterns:

H-bond acceptor N
Detail
ID 42 DB demo
2D structure

Z49724748

ID 42

Cc1cc(SCC(=O)N/N=C\c2ccc(O)c(O)c2O)c(C)cc1Br

Formula: C17H17BrN2O4S

MW: 425.30 | LogP: 3.43

TPSA: 102.15

Patterns:

H-bond acceptor N
Detail
ID 73 DB demo
2D structure

MK155

ID 73

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1nnc(CCc3ccc(O)c(O)c3)o1)O2

Formula: C23H26N2O5

MW: 410.47 | LogP: 4.14

TPSA: 108.84

Patterns:

H-bond acceptor N
Detail
ID 78 DB demo
2D structure

TC490

ID 78

Cc1cc(C)c2c(c1C)O[C@@](C)(c1cn(CCc3cc(O)cc(O)c3)nn1)CN2

Formula: C22H26N4O3

MW: 394.48 | LogP: 3.58

TPSA: 92.43

Patterns:

H-bond acceptor N
Detail
ID 83 DB demo
2D structure

KB_HAT_125

ID 83

Cc1cnc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)s1

Formula: C21H25N5OS

MW: 395.53 | LogP: 4.29

TPSA: 82.96

Patterns:

H-bond acceptor N
Detail
ID 93 DB demo
2D structure

NMT-TY0612

ID 93

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)[nH]c(SCCc3ccccc3)nc2=O)cc1

Formula: C20H21N5O4S2

MW: 459.55 | LogP: 2.45

TPSA: 147.04

Patterns:

H-bond acceptor N
Detail
ID 110 DB demo
2D structure

KB_HAT_118

ID 110

NC(=O)c1ncc(N[C@@H]2CCC[NH2+]C2)nc1Nc1cccc(Cl)c1

Formula: C16H20ClN6O+

MW: 347.83 | LogP: 1.11

TPSA: 109.54

Patterns:

H-bond acceptor N
Detail
ID 123 DB demo
2D structure

OHD_ACDS_73

ID 123

C=CCc1cc(Cn2cc(-c3nc4ccccc4c(=O)[nH]3)nn2)c(O)c(OC)c1

Formula: C21H19N5O3

MW: 389.42 | LogP: 2.67

TPSA: 105.92

Patterns:

H-bond acceptor N
Detail
ID 128 DB demo
2D structure

Z151832316

ID 128

Oc1nc(CSc2nnc(NC[C@H]3CCCO3)s2)nc2sc(-c3ccccc3)cc12

Formula: C20H19N5O2S3

MW: 457.61 | LogP: 4.80

TPSA: 93.05

Patterns:

H-bond acceptor N
Detail
ID 155 DB demo
2D structure

OHD_TB2020_34

ID 155

CCn1c(Cc2ccc(OC)cc2Cl)cn(Cc2nc3ccc(Cl)nc3[nH]2)c1=O

Formula: C20H19Cl2N5O2

MW: 432.31 | LogP: 3.90

TPSA: 77.73

Patterns:

H-bond acceptor N
Detail
ID 219 DB demo
2D structure

Z29514151

ID 219

Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)coc2c1

Formula: C23H24N2O6S

MW: 456.52 | LogP: 2.59

TPSA: 89.29

Patterns:

H-bond acceptor N
Detail
ID 274 DB demo
2D structure

OHD_TB2020_31

ID 274

O=c1n(Cc2nc3ccc(Cl)nc3[nH]2)cc(Cc2ccc(Cl)cc2Cl)n1CC(F)F

Formula: C19H14Cl3F2N5O

MW: 472.71 | LogP: 4.79

TPSA: 68.50

Patterns:

H-bond acceptor N
Detail
ID 291 DB demo
2D structure

Z19316134

ID 291

Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCOCC1

Formula: C21H22N4O4S2

MW: 458.57 | LogP: 2.69

TPSA: 101.49

Patterns:

H-bond acceptor N
Detail
ID 326 DB demo
2D structure

NMT-TY0616

ID 326

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)nc(SC3CCCC3)[nH]c2=O)cc1

Formula: C17H21N5O4S2

MW: 423.52 | LogP: 2.15

TPSA: 147.04

Patterns:

H-bond acceptor N
Detail
ID 386 DB demo
2D structure

Z44847963

ID 386

O/C(=N\N=C/c1ccc(O)c(O)c1)c1ccc(CSc2cccc3cccnc23)cc1

Formula: C24H19N3O3S

MW: 429.50 | LogP: 5.28

TPSA: 98.30

Patterns:

H-bond acceptor N
Detail
ID 388 DB demo
2D structure

KB_HAT_138

ID 388

CS(=O)(=O)c1ccc(Nc2nccc(Nc3n[nH]c4ccc(F)cc34)n2)c(F)c1

Formula: C18H14F2N6O2S

MW: 416.41 | LogP: 3.52

TPSA: 112.66

Patterns:

H-bond acceptor N
Detail
ID 423 DB demo
2D structure

OHD_MAC_47

ID 423

COc1ccc(/C=N/Nc2ncnc3c(Nc4ccc(OCCCO)cc4)ncnc23)cc1O

Formula: C23H23N7O4

MW: 461.48 | LogP: 3.08

TPSA: 146.90

Patterns:

H-bond acceptor N
Detail
ID 455 DB demo
2D structure

Z27504791

ID 455

C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(S(N)(=O)=O)cc1

Formula: C19H20N4O4S

MW: 400.46 | LogP: 1.38

TPSA: 135.01

Patterns:

H-bond acceptor N
Detail
ID 462 DB demo
2D structure

NMT-TY0406

ID 462

CSc1nc(=O)c(NS(=O)(=O)c2ccc(N)cc2)c(N)[nH]1

Formula: C11H13N5O3S2

MW: 327.39 | LogP: 0.46

TPSA: 143.96

Patterns:

H-bond acceptor N
Detail
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