Molecular Properties | |
SMILES: | O=C(NCc1cccc(-c2ccccn2)c1)c1cncnc1 |
MW: | 290.12 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 67.77 |
cLogP: | 2.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-31
0.613
MAR-TRE-92684b97-81
0.597
MAR-TRE-9d18ae8c-6
0.589
MAR-TRE-8190bb11-80
0.587
MAR-TRE-8190bb11-8
0.571
MAR-TRE-92684b97-6
0.564
MAR-TRE-799db12b-44
0.513
MAR-TRE-799db12b-33
0.513
MAR-TRE-9d18ae8c-18
0.513
MAR-TRE-4f781e27-2
0.506
MAR-TRE-66ac689e-37
0.500
MAR-TRE-66ac689e-73
0.500
MAR-TRE-799db12b-2
0.494
MAR-TRE-9d18ae8c-53
0.494
MAR-TRE-799db12b-97
0.488
MAR-TRE-9d18ae8c-30
0.487
MAR-TRE-9d18ae8c-52
0.487
MAR-TRE-799db12b-27
0.487
MAR-TRE-799db12b-16
0.487
MAR-TRE-799db12b-76
0.476
MAR-TRE-9d18ae8c-43
0.476
MAR-TRE-799db12b-24
0.475
MAR-TRE-8190bb11-34
0.475
MAR-TRE-799db12b-3
0.475
MAR-TRE-9d18ae8c-54
0.475
MAR-TRE-9d18ae8c-34
0.470
MAR-TRE-799db12b-14
0.470
MAR-TRE-9d18ae8c-36
0.469
MAR-TRE-66ac689e-33
0.469
MAR-TRE-92684b97-82
0.468
MAR-TRE-9d18ae8c-10
0.464
MAR-TRE-66ac689e-1
0.463
MAR-TRE-9d18ae8c-7
0.463
MAR-TRE-9d18ae8c-16
0.459
MAR-TRE-799db12b-51
0.458
MAR-TRE-799db12b-69
0.458
MAR-TRE-9d18ae8c-11
0.458
MAR-TRE-be9ff7d2-17
0.455
MAR-TRE-66ac689e-54
0.452
MAR-TRE-799db12b-4
0.448
MAR-TRE-9d18ae8c-49
0.447
MAR-TRE-9d18ae8c-65
0.447
MAR-TRE-4f781e27-92
0.438
MAR-TRE-799db12b-18
0.437
MAR-TRE-8190bb11-86
0.432
MAR-TRE-92684b97-11
0.423
MAR-TRE-a9136c7b-11
0.422
MAR-TRE-66ac689e-12
0.418
MAR-TRE-4f781e27-28
0.418
MAR-TRE-799db12b-9
0.418
MAR-TRE-92684b97-78
0.411
MAR-TRE-4f781e27-88
0.410
MAR-TRE-e82e6c98-25
0.400
MAR-TRE-8190bb11-85
0.400
MAR-TRE-8190bb11-24
0.400
MAR-TRE-66ac689e-26
0.395
MAR-TRE-8190bb11-13
0.390
MAR-TRE-a9136c7b-31
0.385
MAR-TRE-92684b97-53
0.381
MAR-TRE-4f781e27-99
0.380
MAR-TRE-799db12b-35
0.380
MAR-TRE-9d18ae8c-89
0.380
MAR-TRE-8190bb11-82
0.378
MAR-TRE-9d18ae8c-74
0.378
MAR-TRE-8190bb11-81
0.378
MAR-TRE-9d18ae8c-81
0.376
MAR-TRE-8190bb11-50
0.375
MAR-TRE-4f781e27-100
0.373
MAR-TRE-e82e6c98-54
0.372
MAR-TRE-be9ff7d2-90
0.372
MAR-TRE-66ac689e-20
0.369
MAR-TRE-8190bb11-40
0.369
MAR-TRE-4f781e27-48
0.368
MAR-TRE-be9ff7d2-67
0.365
MAR-TRE-8190bb11-83
0.364
MAR-TRE-92684b97-96
0.360
MAR-TRE-799db12b-52
0.360
MAR-TRE-4f781e27-96
0.357
MAR-TRE-92684b97-44
0.357
MAR-TRE-a9136c7b-14
0.357
MAR-TRE-799db12b-59
0.356
MAR-TRE-4f781e27-34
0.356
MAR-TRE-4f781e27-55
0.353
MAR-TRE-a9136c7b-80
0.352
MAR-TRE-799db12b-72
0.352
MAR-TRE-4f781e27-83
0.352
MAR-TRE-66ac689e-69
0.352
MAR-TRE-a9136c7b-4
0.351
MAR-TRE-8190bb11-42
0.350
MAR-TRE-66ac689e-21
0.349
MAR-TRE-4f781e27-49
0.346
MAR-TRE-92684b97-54
0.345
MAR-TRE-e82e6c98-68
0.342
MAR-TRE-9d18ae8c-50
0.341
MAR-TRE-8190bb11-99
0.340
MAR-TRE-92684b97-66
0.338
MAR-TRE-799db12b-84
0.337
MAR-TRE-92684b97-14
0.337
MAR-TRE-92684b97-47
0.337
MAR-TRE-92684b97-16
0.337