Molecular Properties | |
SMILES: | CC(C)C(NC(=O)c1cncnc1)c1nnc2ccccn12 |
MW: | 296.14 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 85.07 |
cLogP: | 1.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WIL-UNI-d4749f31-45
0.460
WIL-UNI-d4749f31-28
0.434
TAT-ENA-80bfd3e5-48
0.394
MAR-TRE-c317dd82-48
0.384
MAR-TRE-92684b97-27
0.382
MAR-TRE-a9136c7b-68
0.381
MAR-TRE-4f781e27-40
0.380
MAR-TRE-a9136c7b-87
0.378
WIL-UNI-2a57d06c-28
0.369
MAR-TRE-e82e6c98-30
0.368
MAR-TRE-8190bb11-72
0.367
MAR-TRE-a9136c7b-74
0.365
MAR-TRE-8190bb11-98
0.362
AAR-UNI-c25c2f1e-26
0.361
MAR-TRE-be9ff7d2-47
0.360
MAR-TRE-9d18ae8c-80
0.357
MAR-TRE-8190bb11-91
0.355
MAR-TRE-8190bb11-11
0.354
MAR-TRE-92684b97-99
0.354
MAR-TRE-66ac689e-45
0.353
MAR-TRE-9d18ae8c-60
0.353
MAR-TRE-4f781e27-29
0.350
MAR-TRE-4f781e27-38
0.349
MAR-TRE-92684b97-50
0.346
MAR-TRE-92684b97-87
0.346
MAR-TRE-c317dd82-96
0.346
MAR-TRE-4f781e27-86
0.346
MAR-TRE-e82e6c98-72
0.342
MAR-TRE-8190bb11-48
0.342
MAR-TRE-9d18ae8c-28
0.341
MAR-TRE-66ac689e-72
0.341
MAR-TRE-be9ff7d2-12
0.341
MAR-TRE-92684b97-2
0.341
MAR-TRE-9d18ae8c-64
0.338
MAR-TRE-be9ff7d2-68
0.337
MAR-TRE-be9ff7d2-6
0.337
MAR-TRE-a9136c7b-13
0.337
MAR-TRE-9d18ae8c-17
0.333
MAR-TRE-66ac689e-22
0.333
MAR-TRE-66ac689e-27
0.333
MAR-TRE-66ac689e-77
0.333
MAR-TRE-66ac689e-85
0.333
MAR-TRE-8190bb11-5
0.333
MAR-TRE-4f781e27-24
0.333
MAR-TRE-92684b97-5
0.333
MAR-TRE-9d18ae8c-8
0.333
MAR-TRE-9d18ae8c-59
0.333
MAR-TRE-8190bb11-93
0.330
MAR-TRE-a9136c7b-35
0.330
MAR-TRE-66ac689e-66
0.329
MAR-TRE-be9ff7d2-16
0.329
MAR-TRE-92684b97-68
0.326
MAR-TRE-a9136c7b-93
0.326
MAR-TRE-66ac689e-56
0.326
MAR-TRE-c317dd82-42
0.326
MAR-TRE-66ac689e-9
0.326
MAR-TRE-8190bb11-73
0.326
MAR-TRE-8190bb11-89
0.326
MAR-TRE-a9136c7b-41
0.326
MAR-TRE-4f781e27-14
0.325
MAR-TRE-92684b97-17
0.325
MAR-TRE-4f781e27-39
0.325
MAR-TRE-66ac689e-61
0.322
MAR-TRE-8190bb11-56
0.321
MAR-TRE-799db12b-63
0.321
MAR-TRE-66ac689e-100
0.321
MAR-TRE-4f781e27-45
0.321
MAR-TRE-92684b97-51
0.321
MAR-TRE-9d18ae8c-85
0.321
MAR-TRE-799db12b-95
0.321
MAR-TRE-799db12b-36
0.319
MAR-TRE-8190bb11-61
0.319
MAR-TRE-66ac689e-87
0.318
MAR-TRE-799db12b-28
0.318
MAR-TRE-9d18ae8c-50
0.318
MAR-TRE-be9ff7d2-86
0.318
MAR-TRE-799db12b-73
0.318
MAR-TRE-66ac689e-84
0.318
MAR-TRE-9d18ae8c-99
0.318
MAR-TRE-be9ff7d2-93
0.318
MAR-TRE-66ac689e-3
0.317
MAR-TRE-8190bb11-97
0.317
MAR-TRE-4f781e27-91
0.317
MAR-TRE-799db12b-23
0.317
MAR-TRE-92684b97-77
0.317
MAR-TRE-a9136c7b-48
0.317
MAR-TRE-c317dd82-21
0.316
MAR-TRE-799db12b-19
0.315
MAR-TRE-799db12b-49
0.315
MAR-TRE-799db12b-45
0.315
MAR-TRE-4f781e27-6
0.315
MAR-TRE-66ac689e-36
0.315
MAR-TRE-66ac689e-97
0.314
MAR-TRE-be9ff7d2-89
0.314
MAR-TRE-a9136c7b-70
0.314
MAR-TRE-66ac689e-82
0.314
MAR-TRE-8190bb11-25
0.314
MAR-TRE-4f781e27-51
0.314
MAR-TRE-9d18ae8c-41
0.314
MAR-TRE-be9ff7d2-97
0.314