Molecular Properties | |
SMILES: | O=C(NC(Cc1c[nH]c2cccnc12)C(=O)O)c1cncnc1 |
MW: | 311.1 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 120.86 |
cLogP: | 0.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-21
0.605
MAR-TRE-4f781e27-94
0.549
MAR-TRE-be9ff7d2-10
0.518
MAR-TRE-66ac689e-48
0.494
MAR-TRE-92684b97-97
0.482
MAR-TRE-be9ff7d2-61
0.475
MAR-TRE-e82e6c98-100
0.456
MAR-TRE-92684b97-5
0.452
MAR-TRE-4f781e27-69
0.448
MAR-TRE-66ac689e-81
0.444
MAR-TRE-be9ff7d2-84
0.444
MAR-TRE-4f781e27-6
0.443
MAR-TRE-e82e6c98-20
0.443
MAR-TRE-a9136c7b-22
0.440
MAR-TRE-799db12b-12
0.433
MAR-TRE-92684b97-8
0.427
MAR-TRE-4f781e27-5
0.424
MAR-TRE-8190bb11-17
0.414
MAR-TRE-4f781e27-93
0.414
MAR-TRE-4f781e27-56
0.412
MAR-TRE-92684b97-98
0.409
MAR-TRE-4f781e27-24
0.407
MAR-TRE-66ac689e-87
0.402
MAR-TRE-4f781e27-26
0.402
MAR-TRE-66ac689e-19
0.400
MAR-TRE-8190bb11-23
0.400
MAR-TRE-8190bb11-48
0.400
MAR-TRE-4f781e27-39
0.400
MAR-TRE-c317dd82-38
0.398
MAR-TRE-92684b97-41
0.395
MAR-TRE-e82e6c98-79
0.388
MAR-TRE-8190bb11-25
0.368
MAR-TRE-8190bb11-6
0.364
MAR-TRE-85681e92-64
0.363
MAR-TRE-be9ff7d2-93
0.356
MAR-TRE-9d18ae8c-67
0.353
MAR-TRE-9d18ae8c-51
0.352
MAR-TRE-92684b97-51
0.345
MAR-TRE-c317dd82-95
0.344
MAR-TRE-4f781e27-27
0.344
MAR-TRE-4f781e27-29
0.341
MAR-TRE-4f781e27-44
0.341
MAR-TRE-8190bb11-35
0.340
MAR-TRE-9d18ae8c-26
0.340
MAR-TRE-92684b97-27
0.337
MAR-TRE-8190bb11-71
0.337
MAR-TRE-9d18ae8c-41
0.337
MAR-TRE-8190bb11-93
0.337
MAR-TRE-9d18ae8c-22
0.337
MAR-TRE-4f781e27-68
0.333
MAR-TRE-85681e92-60
0.333
MAR-TRE-66ac689e-42
0.333
MAR-TRE-4f781e27-4
0.333
MAR-TRE-be9ff7d2-47
0.333
MAR-TRE-66ac689e-52
0.330
MAR-TRE-be9ff7d2-6
0.330
MAR-TRE-92684b97-15
0.330
MAR-TRE-8190bb11-11
0.329
MAR-TRE-799db12b-95
0.329
MAR-TRE-e82e6c98-70
0.329
MAR-TRE-8190bb11-91
0.329
MAR-TRE-92684b97-18
0.326
MAR-TRE-8190bb11-70
0.326
MAR-TRE-9d18ae8c-50
0.326
MAR-TRE-66ac689e-84
0.326
MAR-TRE-92684b97-58
0.326
MAR-TRE-9d18ae8c-8
0.326
MAR-TRE-f5c2d31c-47
0.326
MAR-TRE-9d18ae8c-37
0.326
MAR-TRE-66ac689e-41
0.326
MAR-TRE-92684b97-75
0.326
MAR-TRE-e82e6c98-30
0.325
MAR-TRE-c317dd82-41
0.325
LON-WEI-1908424e-9
0.323
MAR-TRE-85681e92-45
0.323
MAR-TRE-4f781e27-20
0.323
MAR-TRE-92684b97-16
0.323
MAR-TRE-a9136c7b-36
0.322
MAR-TRE-92684b97-72
0.322
MAR-TRE-92684b97-56
0.321
MAR-TRE-92684b97-50
0.321
MAR-TRE-85681e92-38
0.319
MAR-TRE-e82e6c98-18
0.319
MAR-TRE-92684b97-91
0.319
MAR-TRE-c317dd82-42
0.319
MAR-TRE-a9136c7b-77
0.319
MAR-TRE-a9136c7b-93
0.319
MAR-TRE-8190bb11-59
0.318
MAR-TRE-92684b97-17
0.318
MAR-TRE-8190bb11-28
0.318
MAR-TRE-92684b97-35
0.318
MAR-TRE-799db12b-79
0.315
MAR-TRE-9d18ae8c-64
0.314
MAR-TRE-9d18ae8c-73
0.314
MAR-TRE-85681e92-20
0.312
MAR-TRE-e82e6c98-46
0.312
MAR-TRE-92684b97-84
0.312
MAR-TRE-92684b97-67
0.312
MAR-TRE-4f781e27-96
0.311
MAR-TRE-e86a56b5-35
0.311