Molecular Properties | |
SMILES: | COc1ccc(C(NC(=O)c2cncnc2)c2ccc(OC)cc2OC)cc1 |
MW: | 379.15 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 82.57 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-9
0.649
MAR-TRE-a9136c7b-98
0.614
MAR-TRE-92684b97-32
0.571
MAR-TRE-92684b97-1
0.551
MAR-TRE-799db12b-31
0.547
MAR-TRE-9d18ae8c-99
0.541
MAR-TRE-799db12b-28
0.532
MAR-TRE-66ac689e-57
0.500
MAR-TRE-66ac689e-18
0.486
MAR-TRE-92684b97-77
0.486
MAR-TRE-799db12b-50
0.481
MAR-TRE-799db12b-47
0.480
MAR-TRE-799db12b-46
0.474
MAR-TRE-799db12b-94
0.474
MAR-TRE-799db12b-80
0.456
MAR-TRE-be9ff7d2-64
0.456
MAR-TRE-a9136c7b-69
0.451
MAR-TRE-be9ff7d2-3
0.447
MAR-TRE-a9136c7b-59
0.444
MAR-TRE-66ac689e-93
0.436
MAR-TRE-4f781e27-20
0.434
MAR-TRE-799db12b-79
0.430
MAR-TRE-799db12b-85
0.424
MAR-TRE-c317dd82-24
0.420
MAR-TRE-a9136c7b-49
0.420
MAR-TRE-a9136c7b-70
0.420
MAR-TRE-799db12b-19
0.414
MAR-TRE-92684b97-12
0.414
MAR-TRE-66ac689e-58
0.413
MAR-TRE-799db12b-32
0.412
MAR-TRE-be9ff7d2-86
0.407
MAR-TRE-92684b97-84
0.405
MAR-TRE-4f781e27-51
0.402
MAR-TRE-66ac689e-97
0.402
MAR-TRE-66ac689e-94
0.402
MAR-TRE-799db12b-55
0.400
MAR-TRE-9d18ae8c-3
0.398
MAR-TRE-a9136c7b-9
0.398
MAR-TRE-a9136c7b-26
0.398
MAR-TRE-e82e6c98-14
0.398
MAR-TRE-4f781e27-56
0.398
MAR-TRE-66ac689e-64
0.398
MAR-TRE-9d18ae8c-87
0.397
MAR-TRE-92684b97-92
0.395
MAR-TRE-4f781e27-70
0.395
MAR-TRE-92684b97-63
0.395
MAR-TRE-a9136c7b-48
0.392
MAR-TRE-c317dd82-48
0.392
MAR-TRE-66ac689e-87
0.388
MAR-TRE-9d18ae8c-4
0.388
MAR-TRE-9d18ae8c-19
0.386
MAR-TRE-799db12b-78
0.384
MAR-TRE-66ac689e-42
0.383
MAR-TRE-92684b97-29
0.381
MAR-TRE-9d18ae8c-1
0.379
MAR-TRE-66ac689e-100
0.378
MAR-TRE-a9136c7b-91
0.378
MAR-TRE-8190bb11-77
0.378
MAR-TRE-8190bb11-5
0.377
MAR-TRE-e82e6c98-43
0.377
MAR-TRE-9d18ae8c-60
0.376
MAR-TRE-a9136c7b-46
0.376
MAR-TRE-66ac689e-85
0.373
MAR-TRE-8190bb11-70
0.372
MAR-TRE-9d18ae8c-24
0.371
MAR-TRE-9d18ae8c-67
0.370
MAR-TRE-66ac689e-95
0.370
MAR-TRE-c317dd82-38
0.370
MAR-TRE-9d18ae8c-41
0.369
MAR-TRE-66ac689e-82
0.369
MAR-TRE-be9ff7d2-47
0.368
MAR-TRE-799db12b-58
0.368
MAR-TRE-a9136c7b-35
0.368
MAR-TRE-66ac689e-23
0.367
MAR-TRE-66ac689e-79
0.366
MAR-TRE-4f781e27-14
0.366
MAR-TRE-8190bb11-89
0.365
MAR-TRE-66ac689e-56
0.365
MAR-TRE-4f781e27-68
0.365
MAR-TRE-92684b97-2
0.364
MAR-TRE-799db12b-41
0.362
MAR-TRE-92684b97-99
0.362
MAR-TRE-9d18ae8c-85
0.362
MAR-TRE-8190bb11-47
0.362
MAR-TRE-92684b97-80
0.362
MAR-TRE-66ac689e-98
0.361
MAR-TRE-92684b97-15
0.361
MAR-TRE-8190bb11-38
0.360
MAR-TRE-9d18ae8c-86
0.360
MAR-TRE-9d18ae8c-59
0.359
MAR-TRE-a9136c7b-13
0.359
MAR-TRE-799db12b-61
0.358
MAR-TRE-799db12b-96
0.358
MAR-TRE-66ac689e-3
0.358
MAR-TRE-799db12b-5
0.357
MAR-TRE-66ac689e-71
0.357
MAR-TRE-9d18ae8c-37
0.357
MAR-TRE-9d18ae8c-26
0.356
MAR-TRE-799db12b-91
0.354
MAR-TRE-92684b97-71
0.354