Molecular Properties | |
SMILES: | COc1cccc(C(O)CNC(=O)c2cncnc2)c1 |
MW: | 273.11 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 84.34 |
cLogP: | 0.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-87
0.672
MAR-TRE-be9ff7d2-49
0.661
MAR-TRE-a9136c7b-78
0.652
MAR-TRE-a9136c7b-5
0.616
MAR-TRE-92684b97-77
0.591
MAR-TRE-66ac689e-93
0.574
MAR-TRE-e82e6c98-14
0.563
MAR-TRE-66ac689e-97
0.549
MAR-TRE-4f781e27-20
0.541
MAR-TRE-92684b97-29
0.521
MAR-TRE-9d18ae8c-19
0.519
MAR-TRE-92684b97-14
0.486
MAR-TRE-799db12b-19
0.475
MAR-TRE-92684b97-12
0.475
MAR-TRE-9d18ae8c-24
0.463
MAR-TRE-9d18ae8c-13
0.462
MAR-TRE-4f781e27-35
0.461
MAR-TRE-4f781e27-56
0.461
MAR-TRE-66ac689e-69
0.457
MAR-TRE-8190bb11-58
0.453
MAR-TRE-8190bb11-70
0.449
MAR-TRE-4f781e27-37
0.447
MAR-TRE-be9ff7d2-7
0.434
MAR-TRE-9d18ae8c-86
0.432
MAR-TRE-799db12b-90
0.425
MAR-TRE-92684b97-91
0.423
MAR-TRE-be9ff7d2-57
0.415
MAR-TRE-799db12b-84
0.413
MAR-TRE-799db12b-48
0.412
MAR-TRE-92684b97-47
0.410
MAR-TRE-8190bb11-68
0.407
MAR-TRE-e82e6c98-76
0.405
MAR-TRE-92684b97-82
0.405
MAR-TRE-4f781e27-16
0.403
MAR-TRE-8190bb11-18
0.398
MAR-TRE-92684b97-1
0.398
MAR-TRE-e82e6c98-56
0.397
MAR-TRE-66ac689e-57
0.392
MAR-TRE-4f781e27-84
0.387
MAR-TRE-8190bb11-76
0.386
MAR-TRE-8190bb11-10
0.385
MAR-TRE-8190bb11-38
0.383
MAR-TRE-4f781e27-71
0.383
MAR-TRE-66ac689e-18
0.382
MAR-TRE-92684b97-4
0.381
MAR-TRE-799db12b-33
0.378
MAR-TRE-799db12b-47
0.377
MAR-TRE-be9ff7d2-73
0.376
MAR-TRE-be9ff7d2-64
0.375
MAR-TRE-799db12b-44
0.375
MAR-TRE-92684b97-81
0.375
BAR-COM-0f94fc3d-19
0.375
MAR-TRE-92684b97-46
0.373
MAR-TRE-799db12b-92
0.372
MAR-TRE-799db12b-94
0.372
MAR-TRE-4f781e27-14
0.372
MAR-TRE-92684b97-86
0.372
MAR-TRE-799db12b-46
0.372
MAR-TRE-9d18ae8c-48
0.372
MAR-TRE-9d18ae8c-80
0.370
MAR-TRE-799db12b-16
0.370
MAR-TRE-4f781e27-49
0.370
MAR-TRE-92684b97-2
0.369
MAR-TRE-a9136c7b-98
0.367
MAR-TRE-8190bb11-77
0.367
MAR-TRE-92684b97-54
0.367
MAR-TRE-799db12b-32
0.367
MAR-TRE-a9136c7b-28
0.367
MAR-TRE-66ac689e-68
0.367
MAR-TRE-4f781e27-45
0.367
MAR-TRE-92684b97-85
0.367
MAR-TRE-9d18ae8c-90
0.366
MAR-TRE-92684b97-73
0.366
MAR-TRE-be9ff7d2-95
0.365
MAR-TRE-92684b97-32
0.365
MAR-TRE-66ac689e-41
0.364
MAR-TRE-92684b97-75
0.364
MAR-TRE-66ac689e-84
0.362
MAR-TRE-799db12b-50
0.362
MAR-TRE-66ac689e-37
0.362
MAR-TRE-66ac689e-73
0.362
MAR-TRE-4f781e27-36
0.362
MAR-TRE-9d18ae8c-99
0.362
MAR-TRE-8190bb11-34
0.361
MAR-TRE-8190bb11-67
0.361
MAR-TRE-9d18ae8c-54
0.361
MAR-TRE-4f781e27-9
0.360
MAR-TRE-4b834d9a-73
0.360
MAR-TRE-e82e6c98-77
0.360
MAR-TRE-8190bb11-13
0.360
MAR-TRE-8190bb11-71
0.360
MAR-TRE-be9ff7d2-43
0.359
MAR-TRE-92684b97-88
0.359
MAR-TRE-92684b97-72
0.359
MAR-TRE-a9136c7b-49
0.358
MAR-TRE-8190bb11-95
0.358
MAR-TRE-799db12b-80
0.358
MAR-TRE-9d18ae8c-53
0.358
MAR-TRE-e82e6c98-97
0.357
MAR-TRE-a9136c7b-69
0.357