Molecular Properties | |
SMILES: | COc1cccc(C(NC(=O)c2cncnc2)c2nccn2C)c1 |
MW: | 323.14 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 81.93 |
cLogP: | 1.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-77
0.691
MAR-TRE-799db12b-28
0.685
MAR-TRE-a9136c7b-35
0.632
MAR-TRE-4f781e27-20
0.632
MAR-TRE-92684b97-12
0.620
MAR-TRE-66ac689e-85
0.608
MAR-TRE-66ac689e-56
0.592
MAR-TRE-8190bb11-89
0.592
MAR-TRE-66ac689e-93
0.560
MAR-TRE-92684b97-29
0.532
MAR-TRE-66ac689e-97
0.519
MAR-TRE-a9136c7b-52
0.518
MAR-TRE-9d18ae8c-19
0.494
MAR-TRE-66ac689e-98
0.475
MAR-TRE-a9136c7b-5
0.471
MAR-TRE-92684b97-1
0.465
MAR-TRE-799db12b-87
0.452
MAR-TRE-a9136c7b-78
0.442
MAR-TRE-4f781e27-56
0.440
MAR-TRE-9d18ae8c-24
0.427
MAR-TRE-4f781e27-9
0.427
MAR-TRE-9d18ae8c-22
0.425
MAR-TRE-9d18ae8c-99
0.417
MAR-TRE-92684b97-32
0.416
MAR-TRE-8190bb11-70
0.414
MAR-TRE-92684b97-18
0.414
MAR-TRE-8190bb11-67
0.414
MAR-TRE-92684b97-16
0.409
MAR-TRE-8190bb11-93
0.409
MAR-TRE-a9136c7b-77
0.407
MAR-TRE-a9136c7b-93
0.407
MAR-TRE-799db12b-31
0.407
MAR-TRE-9d18ae8c-86
0.400
MAR-TRE-9d18ae8c-37
0.400
MAR-TRE-9d18ae8c-4
0.398
MAR-TRE-9d18ae8c-67
0.398
MAR-TRE-be9ff7d2-47
0.397
MAR-TRE-4f781e27-14
0.393
MAR-TRE-4f781e27-68
0.391
MAR-TRE-4f781e27-35
0.391
MAR-TRE-9d18ae8c-1
0.389
MAR-TRE-4f781e27-45
0.388
MAR-TRE-66ac689e-45
0.386
MAR-TRE-66ac689e-84
0.384
MAR-TRE-a9136c7b-13
0.383
MAR-TRE-92684b97-84
0.382
MAR-TRE-be9ff7d2-64
0.379
MAR-TRE-66ac689e-57
0.378
MAR-TRE-a9136c7b-69
0.378
MAR-TRE-9d18ae8c-3
0.376
MAR-TRE-a9136c7b-98
0.372
MAR-TRE-799db12b-32
0.372
MAR-TRE-66ac689e-68
0.372
MAR-TRE-66ac689e-100
0.372
MAR-TRE-8190bb11-10
0.372
MAR-TRE-4f781e27-71
0.371
MAR-TRE-9d18ae8c-92
0.370
MAR-TRE-be9ff7d2-3
0.369
MAR-TRE-66ac689e-18
0.369
MAR-TRE-8190bb11-58
0.368
MAR-TRE-9d18ae8c-26
0.366
MAR-TRE-799db12b-47
0.365
MAR-TRE-92684b97-14
0.364
MAR-TRE-a9136c7b-70
0.364
MAR-TRE-9d18ae8c-41
0.364
MAR-TRE-a9136c7b-49
0.364
MAR-TRE-66ac689e-82
0.364
MAR-TRE-4f781e27-37
0.364
MAR-TRE-4f781e27-51
0.364
MAR-TRE-9d18ae8c-13
0.363
MAR-TRE-799db12b-90
0.363
MAR-TRE-799db12b-92
0.362
MAR-TRE-92684b97-86
0.360
MAR-TRE-799db12b-94
0.360
MAR-TRE-799db12b-46
0.360
MAR-TRE-66ac689e-72
0.360
MAR-TRE-66ac689e-42
0.360
MAR-TRE-92684b97-15
0.356
MAR-TRE-92684b97-85
0.356
MAR-TRE-799db12b-79
0.356
MAR-TRE-9d18ae8c-60
0.356
MAR-TRE-66ac689e-58
0.354
MAR-TRE-66ac689e-41
0.353
MAR-TRE-66ac689e-22
0.352
MAR-TRE-66ac689e-71
0.352
MAR-TRE-799db12b-50
0.352
MAR-TRE-66ac689e-27
0.352
MAR-TRE-799db12b-73
0.352
MAR-TRE-e82e6c98-46
0.352
MAR-TRE-799db12b-36
0.351
MAR-TRE-8190bb11-71
0.349
MAR-TRE-799db12b-80
0.348
MAR-TRE-799db12b-78
0.348
MAR-TRE-799db12b-58
0.348
MAR-TRE-799db12b-45
0.347
MAR-TRE-66ac689e-69
0.347
MAR-TRE-a9136c7b-26
0.347
MAR-TRE-92684b97-17
0.345
MAR-TRE-92684b97-35
0.345
MAR-TRE-be9ff7d2-49
0.345