Molecular Properties | |
SMILES: | Cc1cc(CNC2CC2)cc(S(=O)(=O)NC(=O)c2cncnc2)c1C |
MW: | 360.13 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 101.05 |
cLogP: | 1.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-34
0.462
MAR-TRE-92684b97-13
0.449
MAR-TRE-92684b97-40
0.442
MAR-TRE-4f781e27-72
0.429
MAR-TRE-4f781e27-89
0.429
MAR-TRE-c317dd82-100
0.425
MAR-TRE-92684b97-69
0.425
MAR-TRE-a9136c7b-40
0.423
MAR-TRE-92684b97-48
0.418
MAR-TRE-9d18ae8c-63
0.418
MAR-TRE-66ac689e-13
0.412
MAR-TRE-92684b97-11
0.412
MAR-TRE-4f781e27-95
0.410
MAR-TRE-66ac689e-11
0.407
MAR-TRE-8190bb11-57
0.405
MAR-TRE-92684b97-59
0.405
MAR-TRE-4f781e27-54
0.402
MAR-TRE-a9136c7b-92
0.400
MAR-TRE-92684b97-21
0.397
MAR-TRE-be9ff7d2-13
0.395
MAR-TRE-8190bb11-78
0.395
MAR-TRE-799db12b-83
0.391
MAR-TRE-9d18ae8c-44
0.391
MAR-TRE-a9136c7b-84
0.390
MAR-TRE-799db12b-10
0.390
MAR-TRE-66ac689e-16
0.390
MAR-TRE-9d18ae8c-56
0.388
MAR-TRE-9d18ae8c-75
0.388
MAR-TRE-9d18ae8c-70
0.388
MAR-TRE-a9136c7b-20
0.388
MAR-TRE-4f781e27-50
0.388
MAR-TRE-8190bb11-77
0.386
MAR-TRE-8190bb11-38
0.384
MAR-TRE-4f781e27-66
0.384
MAR-TRE-a9136c7b-56
0.383
MAR-TRE-4f781e27-17
0.383
MAR-TRE-8190bb11-53
0.383
MAR-TRE-e82e6c98-58
0.381
MAR-TRE-66ac689e-6
0.381
MAR-TRE-66ac689e-63
0.381
MAR-TRE-c317dd82-87
0.378
MAR-TRE-a9136c7b-60
0.376
MAR-TRE-799db12b-77
0.376
MAR-TRE-4f781e27-55
0.376
MAR-TRE-be9ff7d2-31
0.375
MAR-TRE-9d18ae8c-45
0.374
MAR-TRE-8190bb11-15
0.373
MAR-TRE-8190bb11-84
0.373
MAR-TRE-9d18ae8c-25
0.373
MAR-TRE-8190bb11-87
0.372
MAR-TRE-66ac689e-78
0.372
MAR-TRE-c317dd82-98
0.372
MAR-TRE-8190bb11-66
0.371
MAR-TRE-4f781e27-62
0.370
MAR-TRE-799db12b-38
0.369
MAR-TRE-8190bb11-12
0.369
MAR-TRE-8190bb11-45
0.369
MAR-TRE-4f781e27-15
0.369
MAR-TRE-92684b97-42
0.368
MAR-TRE-be9ff7d2-27
0.368
MAR-TRE-799db12b-42
0.367
MAR-TRE-e82e6c98-89
0.366
MAR-TRE-4f781e27-63
0.365
MAR-TRE-66ac689e-50
0.365
MAR-TRE-9d18ae8c-47
0.365
MAR-TRE-92684b97-94
0.364
MAR-TRE-4f781e27-3
0.364
MAR-TRE-c317dd82-79
0.363
MAR-TRE-4f781e27-41
0.362
MAR-TRE-8190bb11-37
0.361
MAR-TRE-8190bb11-55
0.361
MAR-TRE-799db12b-88
0.360
MAR-TRE-4f781e27-97
0.360
MAR-TRE-be9ff7d2-4
0.360
MAR-TRE-8190bb11-19
0.360
MAR-TRE-be9ff7d2-63
0.358
MAR-TRE-a9136c7b-39
0.358
MAR-TRE-92684b97-60
0.358
MAR-TRE-66ac689e-12
0.357
MAR-TRE-a9136c7b-61
0.356
MAR-TRE-a9136c7b-90
0.356
MAR-TRE-a9136c7b-99
0.356
MAR-TRE-e82e6c98-63
0.354
MAR-TRE-4f781e27-87
0.354
MAR-TRE-8190bb11-32
0.354
MAR-TRE-8190bb11-29
0.354
MAR-TRE-9d18ae8c-100
0.353
MAR-TRE-be9ff7d2-45
0.353
MAR-TRE-4f781e27-90
0.353
MAR-TRE-c317dd82-1
0.353
MAR-TRE-e82e6c98-90
0.352
MAR-TRE-92684b97-9
0.349
MAR-TRE-be9ff7d2-23
0.349
MAR-TRE-e82e6c98-45
0.349
MAR-TRE-a9136c7b-43
0.349
MAR-TRE-8190bb11-60
0.349
MAR-TRE-8190bb11-1
0.349
MAR-TRE-4f781e27-42
0.349
MAR-TRE-66ac689e-32
0.349
MAR-TRE-92684b97-58
0.349