Molecular Properties | |
SMILES: | O=C(NC(CCc1ccccc1)c1ccccn1)c1cncnc1 |
MW: | 318.15 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 67.77 |
cLogP: | 2.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-44
0.583
MAR-TRE-9d18ae8c-67
0.500
MAR-TRE-92684b97-15
0.468
MAR-TRE-8190bb11-6
0.450
MAR-TRE-4f781e27-39
0.440
MAR-TRE-92684b97-18
0.439
MAR-TRE-9d18ae8c-41
0.438
MAR-TRE-92684b97-41
0.434
MAR-TRE-92684b97-51
0.434
MAR-TRE-92684b97-16
0.434
MAR-TRE-66ac689e-62
0.432
MAR-TRE-4f781e27-4
0.432
MAR-TRE-92684b97-84
0.422
MAR-TRE-e82e6c98-70
0.419
MAR-TRE-9d18ae8c-97
0.418
MAR-TRE-9d18ae8c-51
0.417
MAR-TRE-9d18ae8c-22
0.417
MAR-TRE-8190bb11-11
0.416
MAR-TRE-66ac689e-92
0.415
MAR-TRE-66ac689e-68
0.412
MAR-TRE-4f781e27-91
0.410
MAR-TRE-66ac689e-41
0.410
MAR-TRE-4f781e27-29
0.410
MAR-TRE-66ac689e-49
0.403
MAR-TRE-8190bb11-48
0.403
MAR-TRE-4f781e27-73
0.403
MAR-TRE-a9136c7b-33
0.400
MAR-TRE-8190bb11-93
0.400
MAR-TRE-92684b97-12
0.398
MAR-TRE-92684b97-85
0.395
MAR-TRE-9d18ae8c-59
0.395
MAR-TRE-a9136c7b-55
0.390
MAR-TRE-799db12b-50
0.390
MAR-TRE-be9ff7d2-48
0.390
MAR-TRE-92684b97-56
0.390
MAR-TRE-799db12b-47
0.388
MAR-TRE-9d18ae8c-24
0.386
MAR-TRE-799db12b-15
0.386
MAR-TRE-92684b97-86
0.383
MAR-TRE-9d18ae8c-21
0.380
MAR-TRE-9d18ae8c-94
0.376
MAR-TRE-9d18ae8c-81
0.376
MAR-TRE-66ac689e-18
0.375
MAR-TRE-66ac689e-97
0.369
MAR-TRE-4f781e27-48
0.368
MAR-TRE-8190bb11-90
0.368
MAR-TRE-66ac689e-79
0.366
MAR-TRE-be9ff7d2-6
0.361
MAR-TRE-66ac689e-81
0.361
MAR-TRE-e82e6c98-30
0.359
MAR-TRE-66ac689e-87
0.356
MAR-TRE-e82e6c98-46
0.356
MAR-TRE-92684b97-27
0.354
MAR-TRE-8190bb11-71
0.354
MAR-TRE-66ac689e-95
0.354
MAR-TRE-66ac689e-43
0.353
MAR-TRE-a9136c7b-49
0.353
MAR-TRE-4f781e27-51
0.353
MAR-TRE-799db12b-80
0.353
MAR-TRE-be9ff7d2-47
0.351
MAR-TRE-66ac689e-57
0.350
MAR-TRE-4f781e27-56
0.349
MAR-TRE-c317dd82-42
0.349
MAR-TRE-92684b97-98
0.348
MAR-TRE-8190bb11-91
0.346
MAR-TRE-8190bb11-47
0.346
MAR-TRE-be9ff7d2-84
0.345
MAR-TRE-66ac689e-34
0.345
MAR-TRE-9d18ae8c-20
0.344
MAR-TRE-8190bb11-97
0.341
MAR-TRE-4f781e27-24
0.341
MAR-TRE-66ac689e-84
0.341
MAR-TRE-9d18ae8c-46
0.341
MAR-TRE-9d18ae8c-19
0.341
MAR-TRE-92684b97-87
0.338
MAR-TRE-92684b97-50
0.338
MAR-TRE-92684b97-71
0.337
MAR-TRE-a9136c7b-71
0.337
MAR-TRE-66ac689e-80
0.333
MAR-TRE-799db12b-94
0.333
MAR-TRE-8190bb11-59
0.333
MAR-TRE-92684b97-2
0.333
MAR-TRE-799db12b-46
0.333
MAR-TRE-92684b97-49
0.333
MAR-TRE-92684b97-68
0.333
MAR-TRE-9d18ae8c-40
0.333
MAR-TRE-8190bb11-28
0.333
MAR-TRE-92684b97-93
0.330
MAR-TRE-a9136c7b-46
0.330
MAR-TRE-8190bb11-14
0.330
MAR-TRE-8190bb11-26
0.330
MAR-TRE-4f781e27-71
0.330
MAR-TRE-be9ff7d2-68
0.329
MAR-TRE-8190bb11-56
0.329
MAR-TRE-9d18ae8c-89
0.329
MAR-TRE-9d18ae8c-73
0.329
MAR-TRE-9d18ae8c-64
0.329
MAR-TRE-4f781e27-49
0.329
MAR-TRE-799db12b-95
0.329
MAR-TRE-92684b97-6
0.326