Molecular Properties | |
SMILES: | CN(C)CCOc1ncccc1CNC(=O)c1cncnc1 |
MW: | 301.15 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 80.24 |
cLogP: | 0.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-54
0.443
MAR-TRE-4f781e27-83
0.429
MAR-TRE-8190bb11-81
0.407
MAR-TRE-8190bb11-82
0.407
MAR-TRE-4f781e27-28
0.395
MAR-TRE-92684b97-53
0.393
MAR-TRE-66ac689e-29
0.388
MAR-TRE-92684b97-78
0.387
MAR-TRE-be9ff7d2-90
0.385
MAR-TRE-799db12b-59
0.384
MAR-TRE-8190bb11-42
0.380
MAR-TRE-e82e6c98-97
0.379
MAR-TRE-a9136c7b-54
0.378
MAR-TRE-799db12b-16
0.376
MAR-TRE-799db12b-89
0.376
MAR-TRE-799db12b-35
0.375
MAR-TRE-e82e6c98-12
0.373
MAR-TRE-c8530538-37
0.372
MAR-TRE-799db12b-24
0.368
MAR-TRE-c317dd82-55
0.366
MAR-TRE-e82e6c98-91
0.365
MAR-TRE-799db12b-44
0.365
MAR-TRE-66ac689e-20
0.365
MAR-TRE-66ac689e-47
0.364
MAR-TRE-e82e6c98-57
0.362
MAR-TRE-be9ff7d2-17
0.361
MAR-TRE-799db12b-27
0.360
MAR-TRE-8190bb11-85
0.359
MAR-TRE-8190bb11-24
0.359
MAR-TRE-4f781e27-99
0.358
MAR-TRE-92684b97-96
0.356
MAR-TRE-799db12b-7
0.356
MAR-TRE-e82e6c98-5
0.356
MAR-TRE-be9ff7d2-1
0.354
MAR-TRE-be9ff7d2-18
0.353
MAR-TRE-66ac689e-73
0.353
MAR-TRE-a9136c7b-100
0.352
MAR-TRE-8190bb11-34
0.352
MAR-TRE-9d18ae8c-46
0.352
MAR-TRE-66ac689e-74
0.352
MAR-TRE-799db12b-65
0.352
MAR-TRE-799db12b-64
0.352
MAR-TRE-e82e6c98-54
0.350
MAR-TRE-8190bb11-13
0.350
MAR-TRE-92684b97-11
0.349
MAR-TRE-e82e6c98-60
0.349
MAR-TRE-a9136c7b-24
0.349
MAR-TRE-8190bb11-40
0.349
MAR-TRE-92684b97-81
0.349
MAR-TRE-9d18ae8c-30
0.348
MAR-TRE-c317dd82-74
0.348
MAR-TRE-66ac689e-69
0.348
MAR-TRE-66ac689e-12
0.345
MAR-TRE-e82e6c98-16
0.345
MAR-TRE-92684b97-82
0.345
MAR-TRE-66ac689e-21
0.345
MAR-TRE-be9ff7d2-67
0.342
MAR-TRE-9d18ae8c-89
0.341
MAR-TRE-66ac689e-26
0.341
MAR-TRE-e82e6c98-64
0.341
MAR-TRE-8190bb11-8
0.341
MAR-TRE-c317dd82-67
0.340
MAR-TRE-e82e6c98-68
0.338
MAR-TRE-8190bb11-50
0.337
MAR-TRE-66ac689e-37
0.337
MAR-TRE-92684b97-44
0.337
MAR-TRE-e82e6c98-35
0.337
MAR-TRE-92684b97-64
0.337
MAR-TRE-799db12b-2
0.337
MAR-TRE-799db12b-33
0.337
MAR-TRE-4f781e27-75
0.337
MAR-TRE-92684b97-6
0.337
MAR-TRE-8190bb11-27
0.337
MAR-TRE-9d18ae8c-53
0.333
MAR-TRE-799db12b-84
0.333
MAR-TRE-4f781e27-2
0.333
MAR-TRE-4f781e27-48
0.333
MAR-TRE-9d18ae8c-52
0.333
MAR-TRE-c317dd82-49
0.330
MAR-TRE-be9ff7d2-99
0.330
MAR-TRE-66ac689e-1
0.330
MAR-TRE-8190bb11-73
0.330
MAR-TRE-92684b97-74
0.329
MAR-TRE-be9ff7d2-11
0.329
MAR-TRE-be9ff7d2-92
0.326
MAR-TRE-799db12b-52
0.326
MAR-TRE-799db12b-87
0.326
MAR-TRE-8190bb11-46
0.326
MAR-TRE-be9ff7d2-6
0.326
MAR-TRE-9d18ae8c-74
0.326
MAR-TRE-be9ff7d2-40
0.326
MAR-TRE-e82e6c98-23
0.325
MAR-TRE-4f781e27-49
0.325
MAR-TRE-799db12b-97
0.323
MAR-TRE-9d18ae8c-54
0.322
MAR-TRE-4f781e27-34
0.322
MAR-TRE-c317dd82-86
0.322
MAR-TRE-4f781e27-100
0.322
MAR-TRE-4f781e27-29
0.321
MAR-TRE-66ac689e-59
0.321