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Z25716555
C[C@H]1CC[C@]2(CC1)NC(=O)N(CC(=O)Nc1sc3c(c1C(N)=O)CCC3)C2=O
Formula: C19H24N4O4S
MW: 404.49 | LogP: 1.77
TPSA: 121.60
Patterns:
TC228
C[C@]12CC[C@H](O)CC1=C/C(=N/OCCCCn1cc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn1)[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@@H]12
Formula: C36H53N7O5S
MW: 695.93 | LogP: 4.28
TPSA: 159.83
Patterns:
Z26394837
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCc1c[nH]c2ccccc12
Formula: C20H24N4O3
MW: 368.44 | LogP: 2.08
TPSA: 94.30
Patterns:
Z14242918
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC(=O)Nc1ccc3c(c1)OCCO3)C2=O
Formula: C20H24N4O6
MW: 416.43 | LogP: 1.61
TPSA: 126.07
Patterns:
Z56870716
CCOc1cc(/C=C2\NC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O
Formula: C23H22N4O4S
MW: 450.52 | LogP: 2.85
TPSA: 88.73
Patterns:
Z16202474
CCOc1ccc(OCCN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1
Formula: C22H23N3O4
MW: 393.44 | LogP: 3.11
TPSA: 83.66
Patterns:
Z25403655
O=C(CSc1nnc(Nc2ccccc2)s1)NN1C(=O)NC2(CCCCC2)C1=O
Formula: C18H20N6O3S2
MW: 432.53 | LogP: 2.66
TPSA: 116.32
Patterns:
TC265
C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@@H]31)[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21O[C@@H]1CO
Formula: C39H61N5O9S
MW: 776.01 | LogP: 2.41
TPSA: 192.37
Patterns:
OHD_TB2023_2
O=C(Nc1ccc(N=C2NCCN2)c(Cl)c1)c1ccc(NC2=[NH+]CCN2)c(Cl)c1
Formula: C19H20Cl2N7O+
MW: 433.32 | LogP: 0.88
TPSA: 103.55
Patterns:
Z218897634
Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(N5CCNC5=O)cc4)CC3)c2c1C
Formula: C23H26N6O2S
MW: 450.57 | LogP: 3.69
TPSA: 90.46
Patterns:
Z16335620
COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCC3=CCCCC3)C2=O)cc1OC
Formula: C22H29N3O5
MW: 415.49 | LogP: 2.48
TPSA: 96.97
Patterns:
Z25716555
C[C@H]1CC[C@@]2(CC1)NC(=O)N(C/C(O)=N/c1sc3c(c1C(N)=O)CCC3)C2=O
Formula: C19H24N4O4S
MW: 404.49 | LogP: 2.42
TPSA: 125.09
Patterns:
TC228
C[C@]12CC[C@H](O)CC1=C/C(=N/OCCCCn1cc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
Formula: C36H53N7O5S
MW: 695.93 | LogP: 4.28
TPSA: 159.83
Patterns:
Z25747797
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1sc3c(c1C(N)=O)CCC3)C2=O
Formula: C19H24N4O4S
MW: 404.49 | LogP: 1.77
TPSA: 121.60
Patterns: