Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1cncnc1 |
MW: | 361.12 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 95.5 |
cLogP: | 0.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-66ac689e-83
0.542
MAR-TRE-66ac689e-34
0.541
MAR-TRE-66ac689e-7
0.500
MAR-TRE-8190bb11-21
0.487
DRR-IMP-38dce17f-3
0.382
MAK-UNK-7c9d1431-24
0.382
MAR-TRE-c317dd82-100
0.380
MAR-TRE-a9136c7b-41
0.378
SAD-SAT-1f400d17-1
0.377
GIA-UNK-5ec6c2b8-3
0.377
MAR-TRE-9d18ae8c-73
0.377
MAR-TRE-be9ff7d2-58
0.377
DRA-CSI-47e38074-1
0.375
MAR-TRE-a9136c7b-89
0.373
MAR-TRE-8190bb11-53
0.372
MAR-TRE-c317dd82-73
0.372
MAR-TRE-9d18ae8c-47
0.370
MAR-TRE-66ac689e-50
0.370
MAR-TRE-799db12b-67
0.368
MAR-TRE-a9136c7b-87
0.366
JOH-IMS-7e73aedd-4
0.365
MAR-TRE-92684b97-43
0.365
MAR-TRE-4f781e27-48
0.365
MAR-TRE-799db12b-6
0.364
MAR-TRE-a9136c7b-75
0.364
MAR-TRE-a9136c7b-84
0.362
MAR-TRE-8190bb11-63
0.361
MAR-TRE-9d18ae8c-79
0.361
MAR-TRE-8190bb11-29
0.359
MAR-TRE-8190bb11-32
0.359
MAR-TRE-8190bb11-57
0.359
MAR-TRE-92684b97-51
0.359
MAR-TRE-a9136c7b-20
0.359
MAR-TRE-e82e6c98-98
0.357
MAR-TRE-be9ff7d2-23
0.354
MAR-TRE-4f781e27-17
0.354
MAR-TRE-66ac689e-32
0.354
MAR-TRE-a9136c7b-68
0.353
MAR-TRE-9d18ae8c-50
0.353
MAR-TRE-92684b97-21
0.351
MAR-TRE-be9ff7d2-88
0.351
MAR-TRE-92684b97-70
0.351
MAR-TRE-8190bb11-37
0.350
MAR-TRE-c317dd82-87
0.350
MAR-TRE-4f781e27-37
0.349
MAR-TRE-4f781e27-55
0.349
MAR-TRE-66ac689e-47
0.349
MAR-TRE-799db12b-21
0.347
MAR-TRE-9d18ae8c-61
0.347
MAR-TRE-4f781e27-72
0.346
MAR-TRE-4f781e27-95
0.346
MAR-TRE-92684b97-34
0.346
MAR-TRE-9d18ae8c-25
0.346
MAR-TRE-92684b97-24
0.346
MAR-TRE-66ac689e-39
0.346
MAR-TRE-a9136c7b-15
0.346
MAR-TRE-4f781e27-80
0.345
MAR-TRE-9d18ae8c-70
0.345
MAR-TRE-c317dd82-98
0.342
GIA-UNK-595fac82-5
0.342
MAR-TRE-e82e6c98-63
0.342
MAR-TRE-4f781e27-25
0.342
MAR-TRE-4f781e27-50
0.342
MAR-TRE-4f781e27-87
0.342
MAR-TRE-92684b97-40
0.342
MAR-TRE-a9136c7b-40
0.342
MAR-TRE-8190bb11-12
0.341
MAR-TRE-be9ff7d2-45
0.341
MAR-TRE-4f781e27-15
0.341
MAR-TRE-4f781e27-54
0.341
MAR-TRE-8190bb11-45
0.341
MAR-TRE-799db12b-52
0.341
ANT-OPE-c0c3e7cc-1
0.338
MAR-TRE-4f781e27-33
0.338
MAR-TRE-4f781e27-42
0.338
MAR-TRE-92684b97-9
0.338
MAR-TRE-92684b97-48
0.338
MAR-TRE-9d18ae8c-63
0.338
MAR-TRE-e82e6c98-45
0.338
MAR-TRE-a9136c7b-43
0.338
MAR-TRE-a9136c7b-56
0.338
MAR-TRE-66ac689e-6
0.337
MAR-TRE-c317dd82-36
0.337
MAR-TRE-92684b97-94
0.337
MAR-TRE-799db12b-64
0.337
MAK-UNK-009ebe36-8
0.337
MAR-TRE-4f781e27-41
0.333
MAR-TRE-4f781e27-64
0.333
MAR-TRE-92684b97-90
0.333
MAR-TRE-9d18ae8c-67
0.333
MAR-TRE-a9136c7b-3
0.333
MAR-TRE-8190bb11-55
0.333
MAR-TRE-92684b97-65
0.333
MAR-TRE-c317dd82-43
0.333
MAR-TRE-799db12b-81
0.333
MAR-TRE-66ac689e-65
0.333
MAR-TRE-4f781e27-21
0.333
MAR-TRE-4f781e27-46
0.333
MAR-TRE-9d18ae8c-39
0.333
MAR-TRE-a9136c7b-1
0.330