Molecular Properties | |
SMILES: | O=C1COc2cc(S(=O)(=O)NC(=O)c3cncnc3)c(Cl)cc2N1 |
MW: | 368.0 |
Fraction sp3: | 0.08 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 127.35 |
cLogP: | 0.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
MAR-TRE-c317dd82-100
0.589
MAR-TRE-799db12b-83
0.577
MAR-TRE-a9136c7b-40
0.487
MAR-TRE-8190bb11-53
0.462
MAR-TRE-8190bb11-84
0.450
MAR-TRE-8190bb11-66
0.425
MAR-TRE-a9136c7b-19
0.416
MAR-TRE-be9ff7d2-4
0.414
MAR-TRE-a9136c7b-90
0.412
MAR-TRE-9d18ae8c-45
0.411
MAR-TRE-66ac689e-63
0.405
MAR-TRE-799db12b-88
0.400
MAR-TRE-92684b97-34
0.398
MAR-TRE-92684b97-40
0.395
MAR-TRE-4f781e27-54
0.393
MAR-TRE-92684b97-42
0.391
MAR-TRE-92684b97-48
0.390
MAR-TRE-e82e6c98-89
0.390
MAR-TRE-a9136c7b-88
0.389
MAR-TRE-799db12b-42
0.389
MAR-TRE-92684b97-21
0.388
MAR-TRE-4f781e27-3
0.386
MAR-TRE-92684b97-94
0.386
MAR-TRE-92684b97-13
0.386
MAR-TRE-a9136c7b-53
0.384
MAR-TRE-4f781e27-72
0.383
MAR-TRE-8190bb11-19
0.382
MAR-TRE-a9136c7b-94
0.381
MAR-TRE-66ac689e-16
0.381
MAR-TRE-8190bb11-57
0.378
MAR-TRE-8190bb11-32
0.378
MAR-TRE-8190bb11-45
0.376
MAR-TRE-4f781e27-66
0.375
MAR-TRE-e82e6c98-90
0.375
MAR-TRE-4f781e27-17
0.373
MAR-TRE-a9136c7b-92
0.373
MAR-TRE-8190bb11-60
0.373
MAR-TRE-66ac689e-50
0.372
MAR-TRE-4f781e27-63
0.372
MAR-TRE-799db12b-53
0.372
MAR-TRE-be9ff7d2-13
0.369
MAR-TRE-a9136c7b-3
0.369
MAR-TRE-8190bb11-78
0.369
MAR-TRE-66ac689e-11
0.367
MAR-TRE-4f781e27-97
0.367
MAR-TRE-a9136c7b-75
0.366
MAR-TRE-a9136c7b-15
0.365
MAR-TRE-799db12b-10
0.365
MAR-TRE-92684b97-69
0.365
MAR-TRE-9d18ae8c-25
0.365
MAR-TRE-9d18ae8c-70
0.364
MAR-TRE-9d18ae8c-75
0.364
MAR-TRE-9d18ae8c-56
0.364
MAR-TRE-799db12b-30
0.363
MAR-TRE-92684b97-33
0.363
MAR-TRE-a9136c7b-20
0.361
MAR-TRE-8190bb11-12
0.360
MAR-TRE-8190bb11-77
0.360
MAR-TRE-799db12b-22
0.360
MAR-TRE-be9ff7d2-27
0.360
MAR-TRE-8190bb11-38
0.360
MAR-TRE-e82e6c98-45
0.357
MAR-TRE-e82e6c98-58
0.356
MAR-TRE-a9136c7b-68
0.356
MAR-TRE-799db12b-59
0.356
MAR-TRE-a9136c7b-60
0.352
MAR-TRE-799db12b-77
0.352
MAR-TRE-66ac689e-44
0.352
MAR-TRE-92684b97-23
0.352
MAR-TRE-8190bb11-15
0.349
MAR-TRE-4f781e27-30
0.348
MAR-TRE-66ac689e-78
0.348
MAR-TRE-e82e6c98-63
0.346
MAR-TRE-92684b97-59
0.345
MAR-TRE-4f781e27-62
0.345
MAR-TRE-be9ff7d2-45
0.345
MAR-TRE-8190bb11-3
0.345
MAR-TRE-4f781e27-90
0.345
MAR-TRE-4f781e27-42
0.341
MAR-TRE-92684b97-9
0.341
MAR-TRE-a9136c7b-43
0.341
MAR-TRE-9d18ae8c-63
0.341
MAR-TRE-66ac689e-6
0.341
MAR-TRE-92684b97-58
0.341
MAR-TRE-4f781e27-89
0.341
MAR-TRE-9d18ae8c-82
0.340
MAR-TRE-4f781e27-46
0.337
MAR-TRE-8190bb11-37
0.337
MAR-TRE-8190bb11-55
0.337
MAR-TRE-66ac689e-13
0.337
MAR-TRE-92684b97-90
0.337
MAR-TRE-66ac689e-17
0.337
MAR-TRE-a9136c7b-25
0.337
MAR-TRE-4f781e27-10
0.337
MAR-TRE-a9136c7b-61
0.333
MAR-TRE-be9ff7d2-31
0.333
MAR-TRE-a9136c7b-39
0.333
MAR-TRE-66ac689e-12
0.333
MAR-TRE-92684b97-60
0.333
MAR-TRE-be9ff7d2-63
0.333