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OHD_TC2_31
NC(=S)N/N=C/c1ccc(-c2ccc(Br)cc2Cl)o1
Formula: C12H9BrClN3OS
MW: 358.65 | LogP: 3.53
TPSA: 63.55
Patterns:
Z20253414
Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccccc1
Formula: C17H17N5O3S
MW: 371.42 | LogP: 2.19
TPSA: 102.05
Patterns:
OHD_TC1_72
Clc1cc(Br)ccc1-c1ccc(C[NH2+]CC2CC[NH2+]CC2)o1
Formula: C17H22BrClN2O+2
MW: 385.73 | LogP: 2.40
TPSA: 46.36
Patterns:
Z18798950
O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc2c(c1)OCO2
Formula: C24H18N2O6
MW: 430.42 | LogP: 3.70
TPSA: 99.89
Patterns:
OHD_ACDS_44
O=C(NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12)c1ccco1
Formula: C23H17Br2N3O2
MW: 527.22 | LogP: 6.33
TPSA: 73.82
Patterns:
Z18797958
COc1ccc(CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1OC
Formula: C25H22N2O6
MW: 446.46 | LogP: 3.99
TPSA: 99.89
Patterns:
Z25575620
Nn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(OC(F)F)cc1
Formula: C17H16F2N6O4S
MW: 438.42 | LogP: 1.97
TPSA: 137.30
Patterns:
KB_HAT_51
CN1C(=O)c2ccccc2Sc2ccc(NC(=O)NCc3ccco3)cc21
Formula: C20H17N3O3S
MW: 379.44 | LogP: 4.34
TPSA: 74.58
Patterns:
Z29514151
Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)coc2c1
Formula: C23H24N2O6S
MW: 456.52 | LogP: 2.59
TPSA: 89.29
Patterns:
Z13720629
COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)o1
Formula: C18H18N2O4S2
MW: 390.49 | LogP: 3.55
TPSA: 74.33
Patterns:
Z18797806
O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1cccc(Cl)c1
Formula: C23H17ClN2O4
MW: 420.85 | LogP: 4.62
TPSA: 81.43
Patterns:
Z1501480422
CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1
Formula: C29H27ClFN4O4S+
MW: 582.08 | LogP: 5.11
TPSA: 110.93
Patterns:
KB_chagas_34
O=c1ccc2ccc(F)c3c2n1C[C@H]3CN1CCC([NH2+]Cc2cc3ccccc3o2)CC1
Formula: C26H27FN3O2+
MW: 432.52 | LogP: 3.21
TPSA: 54.99
Patterns:
OHD_ACDS_37
Brc1ccc2c(C(C[NH2+]Cc3ccco3)c3c[nH]c4cc(Br)ccc34)c[nH]c2c1
Formula: C23H20Br2N3O+
MW: 514.24 | LogP: 5.66
TPSA: 61.33
Patterns:
Z28419783
O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1
Formula: C24H19N3O6S
MW: 477.50 | LogP: 4.43
TPSA: 107.04
Patterns:
Z18798851
O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccccc1Cl
Formula: C23H17ClN2O4
MW: 420.85 | LogP: 4.62
TPSA: 81.43
Patterns:
Z46080221
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1cccc2ncccc12
Formula: C23H14ClN3O2
MW: 399.84 | LogP: 5.69
TPSA: 78.92
Patterns:
Z19278435
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)NCc1ccco1
Formula: C24H25N3O6S
MW: 483.55 | LogP: 2.26
TPSA: 109.16
Patterns:
Z56908733
O=C(c1ccncc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(F)cc1
Formula: C24H19FN2O4S
MW: 450.49 | LogP: 4.88
TPSA: 80.48
Patterns:
