Molecular Properties | |
SMILES: | O=C(NCc1nsc2ccc(Cl)cc12)c1cncnc1 |
MW: | 304.02 |
Fraction sp3: | 0.08 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 67.77 |
cLogP: | 2.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-57
0.413
MAR-TRE-8190bb11-24
0.411
MAR-TRE-92684b97-78
0.403
MAR-TRE-be9ff7d2-90
0.400
MAR-TRE-8190bb11-42
0.395
MAR-TRE-be9ff7d2-67
0.394
MAR-TRE-8190bb11-85
0.392
MAR-TRE-799db12b-35
0.390
MAR-TRE-e82e6c98-95
0.386
MAR-TRE-799db12b-7
0.386
MAR-TRE-8190bb11-50
0.385
MAR-TRE-8190bb11-13
0.382
MAR-TRE-be9ff7d2-89
0.378
MAR-TRE-66ac689e-12
0.375
MAR-TRE-be9ff7d2-17
0.375
MAR-TRE-9d18ae8c-49
0.375
MAR-TRE-be9ff7d2-39
0.372
MAR-TRE-4f781e27-99
0.372
MAR-TRE-9d18ae8c-89
0.372
MAR-TRE-66ac689e-26
0.370
MAR-TRE-e82e6c98-68
0.368
MAR-TRE-4f781e27-100
0.366
MAR-TRE-e82e6c98-91
0.361
MAR-TRE-66ac689e-20
0.361
MAR-TRE-9d18ae8c-84
0.361
MAR-TRE-92684b97-81
0.361
MAR-TRE-9d18ae8c-53
0.361
MAR-TRE-66ac689e-21
0.357
MAR-TRE-799db12b-16
0.357
MAR-TRE-799db12b-27
0.357
MAR-TRE-e82e6c98-18
0.357
MAR-TRE-4f781e27-84
0.354
MAR-TRE-e82e6c98-23
0.354
MAR-TRE-be9ff7d2-34
0.354
MAR-TRE-9d18ae8c-74
0.354
MAR-TRE-799db12b-52
0.353
MAR-TRE-be9ff7d2-1
0.350
MAR-TRE-66ac689e-37
0.349
MAR-TRE-92684b97-64
0.349
MAR-TRE-66ac689e-74
0.349
MAR-TRE-799db12b-97
0.348
MAR-TRE-9d18ae8c-34
0.348
MAR-TRE-e82e6c98-54
0.346
MAR-TRE-92684b97-11
0.346
MAR-TRE-92684b97-72
0.346
MAR-TRE-92684b97-88
0.346
MAR-TRE-8190bb11-40
0.345
MAR-TRE-a9136c7b-24
0.345
MAR-TRE-9d18ae8c-30
0.345
MAR-TRE-9d18ae8c-55
0.345
MAR-TRE-92684b97-74
0.342
MAR-TRE-be9ff7d2-11
0.342
MAR-TRE-a9136c7b-54
0.341
MAR-TRE-92684b97-53
0.341
MAR-TRE-9d18ae8c-6
0.341
MAR-TRE-e82e6c98-93
0.341
MAR-TRE-8190bb11-96
0.338
MAR-TRE-c317dd82-63
0.338
MAR-TRE-8190bb11-81
0.337
MAR-TRE-e82e6c98-50
0.337
MAR-TRE-e82e6c98-12
0.337
MAR-TRE-8190bb11-82
0.337
MAR-TRE-4f781e27-88
0.337
MAR-TRE-66ac689e-73
0.333
MAR-TRE-9d18ae8c-18
0.333
MAR-TRE-799db12b-3
0.333
MAR-TRE-799db12b-14
0.333
MAR-TRE-92684b97-6
0.333
MAR-TRE-799db12b-2
0.333
MAR-TRE-799db12b-24
0.333
MAR-TRE-799db12b-33
0.333
MAR-TRE-799db12b-98
0.333
MAR-TRE-66ac689e-63
0.333
MAR-TRE-be9ff7d2-18
0.333
MAR-TRE-799db12b-59
0.333
MAR-TRE-4f781e27-96
0.333
MAR-TRE-92684b97-44
0.333
MAR-TRE-9d18ae8c-46
0.333
MAR-TRE-9d18ae8c-54
0.333
MAR-TRE-9d18ae8c-10
0.330
MAR-TRE-66ac689e-69
0.330
MAR-TRE-799db12b-72
0.330
MAR-TRE-66ac689e-33
0.330
MAR-TRE-9d18ae8c-36
0.330
MAR-TRE-9d18ae8c-52
0.330
MAR-TRE-8190bb11-80
0.330
MAR-TRE-4f781e27-2
0.330
MAR-TRE-4f781e27-83
0.330
MAR-TRE-4f781e27-92
0.329
MAR-TRE-e82e6c98-60
0.329
MAR-TRE-799db12b-44
0.329
MAR-TRE-8190bb11-95
0.329
MAR-TRE-799db12b-84
0.329
MAR-TRE-799db12b-76
0.326
MAR-TRE-9d18ae8c-16
0.326
MAR-TRE-9d18ae8c-7
0.326
MAR-TRE-a9136c7b-90
0.326
MAR-TRE-e82e6c98-14
0.326
MAR-TRE-8190bb11-86
0.326
MAR-TRE-92684b97-82
0.326