Molecular Properties | |
SMILES: | Cc1cc(C(=O)O)c(C)n1Cc1ccc(S(=O)(=O)NC(=O)c2cncnc2)cc1 |
MW: | 414.1 |
Fraction sp3: | 0.16 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 131.25 |
cLogP: | 1.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-8190bb11-32
0.500
MAR-TRE-4f781e27-87
0.500
MAR-TRE-799db12b-5
0.487
MAR-TRE-8190bb11-37
0.487
MAR-TRE-a9136c7b-56
0.474
MAR-TRE-66ac689e-32
0.474
MAR-TRE-9d18ae8c-63
0.474
MAR-TRE-a9136c7b-3
0.468
MAR-TRE-e82e6c98-63
0.467
MAR-TRE-4f781e27-15
0.457
MAR-TRE-9d18ae8c-5
0.448
MAR-TRE-a9136c7b-15
0.444
MAR-TRE-92684b97-59
0.443
MAR-TRE-8190bb11-3
0.439
MAR-TRE-92684b97-48
0.438
MAR-TRE-a9136c7b-99
0.437
MAR-TRE-4f781e27-46
0.436
MAR-TRE-a9136c7b-79
0.427
MAR-TRE-66ac689e-16
0.427
MAR-TRE-8190bb11-21
0.425
MAR-TRE-4f781e27-62
0.425
MAR-TRE-92684b97-40
0.425
MAR-TRE-be9ff7d2-45
0.422
MAR-TRE-8190bb11-60
0.420
MAR-TRE-be9ff7d2-23
0.420
MAR-TRE-a9136c7b-1
0.418
MAR-TRE-66ac689e-6
0.417
MAR-TRE-9d18ae8c-47
0.417
MAR-TRE-66ac689e-13
0.415
MAR-TRE-8190bb11-94
0.414
MAR-TRE-a9136c7b-75
0.412
MAR-TRE-4f781e27-72
0.412
MAR-TRE-92684b97-60
0.412
MAR-TRE-92684b97-34
0.410
MAR-TRE-4f781e27-97
0.409
MAR-TRE-2fd8122f-5
0.409
MAR-TRE-8190bb11-29
0.407
MAR-TRE-8190bb11-57
0.407
MAR-TRE-a9136c7b-40
0.407
MAR-TRE-8190bb11-87
0.407
MAR-TRE-a9136c7b-61
0.407
MAR-TRE-c317dd82-1
0.405
MAR-TRE-8190bb11-53
0.402
MAR-TRE-8190bb11-1
0.402
MAR-TRE-e82e6c98-45
0.402
MAR-TRE-799db12b-22
0.402
MAR-TRE-92684b97-13
0.398
MAR-TRE-4f781e27-50
0.390
MAR-TRE-9d18ae8c-100
0.388
MAR-TRE-8190bb11-38
0.386
MAR-TRE-4f781e27-17
0.386
MAR-TRE-92684b97-9
0.386
MAR-TRE-a9136c7b-88
0.385
MAR-TRE-c317dd82-36
0.384
MAR-TRE-799db12b-53
0.384
MAR-TRE-66ac689e-50
0.384
MAR-TRE-c317dd82-43
0.383
MAR-TRE-92684b97-94
0.382
MAR-TRE-8190bb11-55
0.381
MAR-TRE-9d18ae8c-82
0.380
MAR-TRE-a9136c7b-39
0.378
MAR-TRE-be9ff7d2-63
0.378
MAR-TRE-66ac689e-65
0.378
MAR-TRE-66ac689e-4
0.378
MAR-TRE-92684b97-30
0.378
MAR-TRE-799db12b-81
0.378
MAR-TRE-4f781e27-52
0.374
MAR-TRE-be9ff7d2-58
0.373
MAR-TRE-8190bb11-77
0.372
MAR-TRE-8190bb11-12
0.372
MAR-TRE-8190bb11-45
0.372
MAR-TRE-9d18ae8c-77
0.370
MAR-TRE-4f781e27-42
0.369
MAR-TRE-66ac689e-63
0.368
MAR-TRE-92684b97-21
0.366
MAR-TRE-8190bb11-78
0.365
MAR-TRE-66ac689e-43
0.364
MAR-TRE-92684b97-65
0.364
MAR-TRE-799db12b-56
0.363
MAR-TRE-8190bb11-52
0.363
MAR-TRE-92684b97-23
0.363
MAR-TRE-9d18ae8c-44
0.363
MAR-TRE-4f781e27-10
0.362
MAR-TRE-4f781e27-95
0.361
MAR-TRE-799db12b-10
0.360
MAR-TRE-9d18ae8c-25
0.360
MAR-TRE-92684b97-69
0.360
MAR-TRE-9d18ae8c-75
0.360
MAR-TRE-9d18ae8c-56
0.360
MAR-TRE-a9136c7b-20
0.357
MAR-TRE-4f781e27-90
0.356
MAR-TRE-799db12b-42
0.355
MAR-TRE-799db12b-1
0.351
MAR-TRE-be9ff7d2-13
0.349
MAR-TRE-c317dd82-84
0.348
MAR-TRE-a9136c7b-25
0.348
MAR-TRE-66ac689e-11
0.348
MAR-TRE-be9ff7d2-31
0.345
MAR-TRE-8190bb11-15
0.345
MAR-TRE-8190bb11-84
0.345