Molecular Properties | |
SMILES: | O=C(NC(CCO)c1cccc2ccccc12)c1cncnc1 |
MW: | 307.13 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.11 |
cLogP: | 2.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-68
0.676
MAR-TRE-9d18ae8c-8
0.592
MAR-TRE-4f781e27-91
0.580
MAR-TRE-9d18ae8c-17
0.560
MAR-TRE-a9136c7b-33
0.500
MAR-TRE-66ac689e-62
0.458
MAR-TRE-92684b97-85
0.455
MAR-TRE-66ac689e-68
0.455
MAR-TRE-799db12b-47
0.447
MAR-TRE-66ac689e-49
0.446
MAR-TRE-4f781e27-73
0.446
MAR-TRE-be9ff7d2-48
0.432
MAR-TRE-799db12b-15
0.407
MAR-TRE-9d18ae8c-97
0.405
MAR-TRE-8190bb11-11
0.403
MAR-TRE-92684b97-93
0.395
MAR-TRE-4f781e27-44
0.395
MAR-TRE-8190bb11-98
0.392
MAR-TRE-66ac689e-57
0.390
MAR-TRE-4f781e27-4
0.386
MAR-TRE-66ac689e-92
0.386
MAR-TRE-92684b97-2
0.384
MAR-TRE-66ac689e-41
0.380
AAR-POS-d2a4d1df-39
0.378
MAR-TRE-9d18ae8c-50
0.376
MAR-TRE-9d18ae8c-24
0.375
MAR-TRE-92684b97-86
0.370
MAR-TRE-8190bb11-6
0.369
MAR-TRE-8190bb11-91
0.368
MAR-TRE-e82e6c98-70
0.368
MAR-TRE-92684b97-98
0.368
MAR-TRE-8190bb11-47
0.367
MAR-TRE-9d18ae8c-74
0.366
MAR-TRE-9d18ae8c-59
0.364
MAR-TRE-799db12b-23
0.362
MAR-TRE-66ac689e-18
0.362
MAR-TRE-799db12b-50
0.361
MAR-TRE-92684b97-5
0.360
MAR-TRE-9d18ae8c-19
0.360
MAR-TRE-92684b97-27
0.359
MAR-TRE-92684b97-50
0.359
MAR-TRE-92684b97-56
0.359
MAR-TRE-8190bb11-25
0.357
MAR-TRE-799db12b-80
0.357
MAR-TRE-66ac689e-97
0.357
MAR-TRE-66ac689e-36
0.356
MAR-TRE-9d18ae8c-51
0.356
MAR-TRE-8190bb11-90
0.356
MAR-TRE-8190bb11-93
0.356
MAR-TRE-4f781e27-93
0.356
MAR-TRE-66ac689e-79
0.354
MAR-TRE-799db12b-94
0.354
MAR-TRE-799db12b-46
0.354
MAR-TRE-9d18ae8c-28
0.354
MAR-TRE-4f781e27-56
0.353
MAR-TRE-92684b97-99
0.350
MAR-TRE-92684b97-51
0.350
MAR-TRE-9d18ae8c-21
0.350
MAR-TRE-9d18ae8c-64
0.350
MAR-TRE-a9136c7b-46
0.349
MAR-TRE-4f781e27-71
0.349
MAR-TRE-92684b97-96
0.349
MAR-TRE-66ac689e-52
0.348
MAR-TRE-4f781e27-27
0.348
MAR-TRE-9d18ae8c-20
0.348
MAR-TRE-4f781e27-29
0.346
MAR-TRE-a9136c7b-55
0.345
MAR-TRE-8190bb11-70
0.345
MAR-TRE-4f781e27-69
0.344
MAR-TRE-92684b97-87
0.342
MAR-TRE-66ac689e-95
0.341
MAR-TRE-4f781e27-86
0.341
MAR-TRE-4f781e27-40
0.341
MAR-TRE-92684b97-71
0.341
MAR-TRE-a9136c7b-58
0.341
MAR-TRE-4f781e27-6
0.341
MAR-TRE-8190bb11-48
0.338
MAR-TRE-8190bb11-59
0.338
MAR-TRE-66ac689e-80
0.337
MAR-TRE-c317dd82-94
0.337
MAR-TRE-9d18ae8c-40
0.337
MAR-TRE-799db12b-85
0.333
MAR-TRE-799db12b-95
0.333
MAR-TRE-e82e6c98-13
0.333
MAR-TRE-a9136c7b-59
0.333
MAR-TRE-be9ff7d2-84
0.333
MAR-TRE-9d18ae8c-86
0.333
MAR-TRE-9d18ae8c-60
0.333
MAR-TRE-92684b97-97
0.330
MAR-TRE-66ac689e-87
0.330
MAR-TRE-66ac689e-77
0.330
MAR-TRE-92684b97-84
0.330
MAR-TRE-9d18ae8c-99
0.329
MAR-TRE-4f781e27-96
0.329
MAR-TRE-e82e6c98-20
0.329
MAR-TRE-8190bb11-97
0.329
MAR-TRE-4f781e27-24
0.329
MAR-TRE-e82e6c98-30
0.329
MAR-TRE-92684b97-8
0.326
MAR-TRE-4f781e27-94
0.326