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5571 results DB fairmol
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ID 1 DB fairmol
2D structure

OHD_TC2_31

ID 1

NC(=S)N/N=C/c1ccc(-c2ccc(Br)cc2Cl)o1

Formula: C12H9BrClN3OS

MW: 358.65 | LogP: 3.53

TPSA: 63.55

Detail
ID 2 DB fairmol
2D structure

Z20253414

ID 2

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

Formula: C17H17N5O3S

MW: 371.42 | LogP: 2.19

TPSA: 102.05

Detail
ID 3 DB fairmol
2D structure

Z19597181

ID 3

Cc1ccc(-c2nnc(SCC(=O)NC(=O)Nc3ccc(C)cc3C)n2N)cc1

Formula: C20H22N6O2S

MW: 410.50 | LogP: 3.02

TPSA: 114.93

Detail
ID 4 DB fairmol
2D structure

Z20229393

ID 4

Cc1sc2ncnc(SCc3nnc(-c4ccccc4)o3)c2c1C

Formula: C17H14N4OS2

MW: 354.46 | LogP: 4.65

TPSA: 64.70

Detail
ID 5 DB fairmol
2D structure

Z45956756

ID 5

Oc1cccc(/C=C\c2ccc3cccc(O)c3[nH+]2)c1

Formula: C17H14NO2+

MW: 264.30 | LogP: 3.24

TPSA: 54.60

Detail
ID 6 DB fairmol
2D structure

CKP-29

ID 6

Nc1cccc2c1[nH+]cn2Cc1ccc2ccccc2c1

Formula: C18H16N3+

MW: 274.35 | LogP: 3.24

TPSA: 45.09

Detail
ID 7 DB fairmol
2D structure

OSA_Lib_276

ID 7

CN[C@]12C[NH2+]C[C@H]([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2

Formula: C21H27N2+

MW: 307.46 | LogP: 2.50

TPSA: 28.64

Detail
ID 8 DB fairmol
2D structure

Z46109754

ID 8

Cc1cccc(/C=C\C(=O)c2ccc(NC3=[NH+]CCCS3)cc2)c1

Formula: C20H21N2OS+

MW: 337.47 | LogP: 2.88

TPSA: 43.07

Detail
ID 9 DB fairmol
2D structure

Z24314037

ID 9

Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@H]1COc2ccccc2O1

Formula: C21H20N4O5S

MW: 440.48 | LogP: 2.46

TPSA: 96.73

Detail
ID 10 DB fairmol
2D structure

Z14342059

ID 10

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

Formula: C24H17N5OS3

MW: 487.64 | LogP: 5.57

TPSA: 65.08

Detail
ID 11 DB fairmol
2D structure

KB_chagas_114

ID 11

CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1

Formula: C16H13ClN2O3S3

MW: 412.95 | LogP: 4.11

TPSA: 76.13

Detail
ID 12 DB fairmol
2D structure

Z45901653

ID 12

O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(C(=S)NCc2ccccc2)CC1

Formula: C18H19BrClN3O2S2

MW: 488.86 | LogP: 3.48

TPSA: 52.65

Detail
ID 13 DB fairmol
2D structure

Z235511374

ID 13

Cc1cc2c(SCC(=O)Nc3cccc(O)c3)ncnc2s1

Formula: C15H13N3O2S2

MW: 331.42 | LogP: 3.44

TPSA: 75.11

Detail
ID 14 DB fairmol
2D structure

OHD_TC1_72

ID 14

Clc1cc(Br)ccc1-c1ccc(C[NH2+]CC2CC[NH2+]CC2)o1

Formula: C17H22BrClN2O+2

MW: 385.73 | LogP: 2.40

TPSA: 46.36

Detail
ID 15 DB fairmol
2D structure

NMT-TY0601

ID 15

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)[nH]c(SCc3ccccc3)nc2=O)cc1

Formula: C19H19N5O4S2

MW: 445.53 | LogP: 2.40

TPSA: 147.04

Detail
ID 16 DB fairmol
2D structure

OSA_Lib_129

ID 16

C[NH+](C)[C@]12C[C@H](c3ccccc3)[C@H](CN(CC[NH+]3CCCC3)C1)[C@@H](c1ccccc1)C2

Formula: C28H41N3+2

MW: 419.66 | LogP: 1.84

TPSA: 12.12

Detail
ID 17 DB fairmol
2D structure

ulfkktlib_977

ID 17

CN(C)c1ccc(-c2ccsc2-c2cc3ccccc3c[nH+]2)cc1

Formula: C21H19N2S+

MW: 331.46 | LogP: 5.12

TPSA: 17.38

Detail
ID 18 DB fairmol
2D structure

NMT-TY0958

ID 18

Nc1cccc(S(=O)(=O)Nc2c(N)nc(SCCCc3ccccc3)[nH]c2=O)c1

Formula: C19H21N5O3S2

MW: 431.54 | LogP: 2.46

TPSA: 143.96

Detail
ID 19 DB fairmol
2D structure

KB_HAT_186

ID 19

O=c1[nH]c(NCCC[NH2+]Cc2cc(Br)cc(Br)c2)nc2ccsc12

Formula: C16H17Br2N4OS+

MW: 473.21 | LogP: 3.08

TPSA: 74.39

Detail
ID 20 DB fairmol
2D structure

Z2940609369

ID 20

Oc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc1

Formula: C16H17NO3

MW: 271.32 | LogP: 2.23

TPSA: 72.72

Detail
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