Molecular Properties | |
SMILES: | O=C(NCc1ncc(-c2ccccc2)[nH]1)c1cncnc1 |
MW: | 279.11 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 83.56 |
cLogP: | 1.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-46
0.418
MAR-TRE-9d18ae8c-18
0.418
MAR-TRE-4f781e27-49
0.414
MAR-TRE-9d18ae8c-52
0.412
MAR-TRE-9d18ae8c-6
0.410
MAR-TRE-92684b97-78
0.406
MAR-TRE-92684b97-44
0.403
MAR-TRE-8190bb11-8
0.402
MAR-TRE-92684b97-81
0.397
MAR-TRE-8190bb11-40
0.397
MAR-TRE-9d18ae8c-30
0.395
MAR-TRE-a9136c7b-80
0.395
MAR-TRE-4f781e27-48
0.395
MAR-TRE-8190bb11-24
0.394
MAR-TRE-799db12b-16
0.392
MAR-TRE-799db12b-27
0.392
MAR-TRE-e82e6c98-12
0.390
MAR-TRE-8190bb11-81
0.390
MAR-TRE-92684b97-54
0.390
MAR-TRE-9d18ae8c-74
0.390
MAR-TRE-be9ff7d2-81
0.388
MAR-TRE-9d18ae8c-81
0.388
MAR-TRE-66ac689e-37
0.385
MAR-TRE-be9ff7d2-90
0.384
MAR-TRE-799db12b-24
0.383
MAR-TRE-9d18ae8c-54
0.383
MAR-TRE-92684b97-6
0.381
MAR-TRE-9d18ae8c-53
0.380
MAR-TRE-8190bb11-48
0.378
MAR-TRE-8190bb11-42
0.378
MAR-TRE-8190bb11-80
0.378
MAR-TRE-be9ff7d2-67
0.377
MAR-TRE-be9ff7d2-17
0.377
MAR-TRE-e82e6c98-16
0.377
MAR-TRE-8190bb11-85
0.375
MAR-TRE-92684b97-53
0.375
MAR-TRE-9d18ae8c-89
0.373
MAR-TRE-8190bb11-82
0.372
MAR-TRE-66ac689e-34
0.370
MAR-TRE-66ac689e-29
0.370
MAR-TRE-8190bb11-46
0.370
MAR-TRE-e82e6c98-68
0.370
MAR-TRE-799db12b-51
0.369
MAR-TRE-8190bb11-31
0.369
MAR-TRE-66ac689e-73
0.367
MAR-TRE-4f781e27-100
0.367
MAR-TRE-799db12b-2
0.366
MAR-TRE-799db12b-3
0.366
MAR-TRE-799db12b-33
0.366
MAR-TRE-8190bb11-13
0.365
MAR-TRE-c317dd82-55
0.364
MAR-TRE-799db12b-4
0.364
MAR-TRE-799db12b-44
0.362
MAR-TRE-be9ff7d2-89
0.362
MAR-TRE-66ac689e-20
0.362
MAR-TRE-e82e6c98-6
0.361
MAR-TRE-4f781e27-83
0.361
MAR-TRE-4f781e27-2
0.361
MAR-TRE-9d18ae8c-36
0.361
MAR-TRE-92684b97-74
0.360
MAR-TRE-799db12b-89
0.358
MAR-TRE-8190bb11-73
0.358
MAR-TRE-92684b97-82
0.358
MAR-TRE-9d18ae8c-7
0.357
MAR-TRE-8190bb11-83
0.357
MAR-TRE-799db12b-35
0.355
MAR-TRE-e82e6c98-23
0.355
MAR-TRE-4f781e27-99
0.355
MAR-TRE-66ac689e-26
0.354
MAR-TRE-799db12b-7
0.354
MAR-TRE-92684b97-96
0.354
MAR-TRE-9d18ae8c-11
0.353
MAR-TRE-9d18ae8c-43
0.353
MAR-TRE-c317dd82-21
0.352
MAR-TRE-8190bb11-50
0.351
MAR-TRE-4f781e27-19
0.351
MAR-TRE-e82e6c98-35
0.350
MAR-TRE-4f781e27-96
0.350
MAR-TRE-be9ff7d2-18
0.350
MAR-TRE-799db12b-14
0.349
MAR-TRE-799db12b-97
0.349
MAR-TRE-9d18ae8c-34
0.349
MAR-TRE-e82e6c98-54
0.347
MAR-TRE-92684b97-11
0.346
MAR-TRE-e82e6c98-91
0.346
MAR-TRE-4f781e27-93
0.345
MAR-TRE-66ac689e-33
0.345
MAR-TRE-66ac689e-47
0.345
MAR-TRE-66ac689e-53
0.345
MAR-TRE-66ac689e-69
0.345
MAR-TRE-9d18ae8c-10
0.345
MAR-TRE-e82e6c98-57
0.342
MAR-TRE-be9ff7d2-11
0.342
MAR-TRE-8190bb11-62
0.342
MAR-TRE-a9136c7b-54
0.342
MAR-TRE-66ac689e-12
0.342
MAR-TRE-e82e6c98-18
0.341
MAR-TRE-e82e6c98-93
0.341
MAR-TRE-e82e6c98-8
0.341
MAR-TRE-66ac689e-21
0.341