Molecular Properties | |
SMILES: | COc1ccccc1C(NC(=O)c1cncnc1)c1ccccc1 |
MW: | 319.13 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 64.11 |
cLogP: | 3.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-32
0.671
MAR-TRE-92684b97-84
0.606
MAR-TRE-799db12b-85
0.581
MAR-TRE-8190bb11-67
0.541
MAR-TRE-4f781e27-9
0.513
MAR-TRE-9d18ae8c-67
0.507
MAR-TRE-4f781e27-51
0.500
MAR-TRE-92684b97-77
0.493
MAR-TRE-be9ff7d2-86
0.467
MAR-TRE-8190bb11-91
0.464
MAR-TRE-66ac689e-93
0.459
MAR-TRE-8190bb11-11
0.458
MAR-TRE-799db12b-31
0.455
MAR-TRE-8190bb11-48
0.444
MAR-TRE-92684b97-1
0.444
MAR-TRE-799db12b-28
0.443
MAR-TRE-c317dd82-24
0.442
MAR-TRE-9d18ae8c-24
0.439
MAR-TRE-9d18ae8c-26
0.439
MAR-TRE-4f781e27-20
0.438
MAR-TRE-66ac689e-58
0.437
MAR-TRE-799db12b-79
0.434
MAR-TRE-92684b97-12
0.434
MAR-TRE-be9ff7d2-3
0.432
MAR-TRE-4f781e27-40
0.427
MAR-TRE-4f781e27-86
0.427
MAR-TRE-66ac689e-97
0.423
MAR-TRE-9d18ae8c-41
0.423
MAR-TRE-be9ff7d2-64
0.423
MAR-TRE-a9136c7b-49
0.423
MAR-TRE-799db12b-19
0.417
MAR-TRE-799db12b-32
0.416
MAR-TRE-a9136c7b-98
0.416
MAR-TRE-92684b97-15
0.416
MAR-TRE-66ac689e-18
0.413
MAR-TRE-92684b97-27
0.411
MAR-TRE-92684b97-50
0.411
MAR-TRE-66ac689e-85
0.410
MAR-TRE-799db12b-50
0.410
MAR-TRE-be9ff7d2-47
0.408
MAR-TRE-799db12b-47
0.408
MAR-TRE-9d18ae8c-4
0.407
MAR-TRE-66ac689e-57
0.405
MAR-TRE-a9136c7b-70
0.405
MAR-TRE-799db12b-80
0.405
MAR-TRE-66ac689e-42
0.403
MAR-TRE-4f781e27-14
0.403
MAR-TRE-66ac689e-36
0.402
MAR-TRE-92684b97-99
0.400
MAR-TRE-9d18ae8c-3
0.400
MAR-TRE-a9136c7b-93
0.400
MAR-TRE-4f781e27-56
0.400
MAR-TRE-8190bb11-10
0.397
MAR-TRE-66ac689e-100
0.397
MAR-TRE-8190bb11-56
0.397
MAR-TRE-8190bb11-26
0.395
MAR-TRE-8190bb11-14
0.395
MAR-TRE-c317dd82-48
0.394
MAR-TRE-9d18ae8c-37
0.392
MAR-TRE-66ac689e-87
0.390
MAR-TRE-66ac689e-95
0.390
MAR-TRE-9d18ae8c-19
0.388
MAR-TRE-66ac689e-94
0.388
MAR-TRE-8190bb11-28
0.387
MAR-TRE-92684b97-17
0.387
MAR-TRE-8190bb11-93
0.386
MAR-TRE-9d18ae8c-22
0.386
MAR-TRE-799db12b-94
0.385
MAR-TRE-799db12b-46
0.385
MAR-TRE-8190bb11-6
0.383
MAR-TRE-66ac689e-56
0.383
MAR-TRE-8190bb11-89
0.383
MAR-TRE-4f781e27-68
0.383
MAR-TRE-9d18ae8c-80
0.383
MAR-TRE-a9136c7b-77
0.383
MAR-TRE-4f781e27-4
0.383
MAR-TRE-9d18ae8c-64
0.382
MAR-TRE-92684b97-68
0.381
MAR-TRE-9d18ae8c-1
0.381
MAR-TRE-9d18ae8c-9
0.381
MAR-TRE-4f781e27-45
0.380
MAR-TRE-66ac689e-62
0.378
MAR-TRE-9d18ae8c-59
0.378
MAR-TRE-a9136c7b-46
0.378
MAR-TRE-66ac689e-61
0.378
MAR-TRE-9d18ae8c-60
0.378
MAR-TRE-799db12b-23
0.377
MAR-TRE-4f781e27-91
0.377
MAR-TRE-9d18ae8c-92
0.376
MAR-TRE-9d18ae8c-17
0.373
MAR-TRE-92684b97-18
0.373
MAR-TRE-8190bb11-71
0.373
MAR-TRE-799db12b-91
0.373
MAR-TRE-66ac689e-82
0.370
MAR-TRE-a9136c7b-35
0.369
MAR-TRE-799db12b-78
0.369
MAR-TRE-8190bb11-90
0.369
MAR-TRE-92684b97-16
0.369
MAR-TRE-92684b97-35
0.368
MAR-TRE-8190bb11-59
0.368