Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)c1ccc2c(c1)NC(=O)CO2 |
MW: | 298.11 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 93.21 |
cLogP: | 1.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-59
0.532
MAR-TRE-799db12b-100
0.475
MAR-TRE-a9136c7b-53
0.473
MAR-TRE-a9136c7b-94
0.473
MAR-TRE-799db12b-45
0.460
MAR-TRE-799db12b-82
0.452
MAR-TRE-66ac689e-72
0.450
MAR-TRE-799db12b-32
0.444
MAR-TRE-66ac689e-22
0.439
MAR-TRE-799db12b-36
0.432
MAR-TRE-8190bb11-5
0.429
MAR-TRE-799db12b-49
0.427
MAR-TRE-66ac689e-3
0.425
MAR-TRE-66ac689e-27
0.422
MAR-TRE-799db12b-73
0.422
MAR-TRE-c317dd82-79
0.416
MAR-TRE-9d18ae8c-9
0.409
MAR-TRE-66ac689e-45
0.407
MAR-TRE-a9136c7b-74
0.402
MAR-TRE-a9136c7b-13
0.402
MAR-TRE-799db12b-99
0.393
MAR-TRE-a9136c7b-62
0.391
MAR-TRE-9d18ae8c-62
0.381
MAR-TRE-8190bb11-98
0.369
MAR-TRE-799db12b-94
0.365
MAR-TRE-6a44bbf2-95
0.361
MAR-TRE-9d18ae8c-98
0.360
MAR-TRE-9d18ae8c-59
0.358
MAR-TRE-e82e6c98-88
0.356
MAR-TRE-799db12b-59
0.356
MAR-TRE-c317dd82-96
0.354
MAR-TRE-799db12b-47
0.353
MAR-TRE-a9136c7b-71
0.352
MAR-TRE-66ac689e-57
0.349
MAR-TRE-92684b97-100
0.348
MAR-TRE-a9136c7b-8
0.347
MAR-TRE-92684b97-80
0.345
MAR-TRE-9d18ae8c-85
0.345
MAR-TRE-9d18ae8c-21
0.345
MAR-TRE-799db12b-79
0.345
MAR-TRE-66ac689e-62
0.341
MAR-TRE-799db12b-61
0.341
MAR-TRE-8190bb11-72
0.341
MAR-TRE-66ac689e-18
0.341
MAR-TRE-799db12b-50
0.341
MAR-TRE-66ac689e-77
0.341
MAR-TRE-92684b97-36
0.341
MAR-TRE-92684b97-56
0.337
MAR-TRE-66ac689e-66
0.337
MAR-TRE-799db12b-80
0.337
MAR-TRE-a9136c7b-69
0.337
MAR-TRE-a9136c7b-21
0.337
MAR-TRE-66ac689e-79
0.333
MAR-TRE-799db12b-31
0.333
MAR-TRE-799db12b-55
0.333
MAR-TRE-799db12b-46
0.333
MAR-TRE-66ac689e-49
0.333
MAR-TRE-9d18ae8c-40
0.333
MAR-TRE-4f781e27-73
0.333
MAR-TRE-a9136c7b-88
0.330
MAR-TRE-a9136c7b-59
0.330
MAR-TRE-be9ff7d2-68
0.330
MAR-TRE-8190bb11-47
0.329
MAR-TRE-9d18ae8c-87
0.329
MAR-TRE-a9136c7b-82
0.326
MAR-TRE-66ac689e-71
0.326
MAR-TRE-8190bb11-54
0.326
MAR-TRE-799db12b-96
0.326
MAR-TRE-be9ff7d2-3
0.326
MAR-TRE-e82e6c98-30
0.325
MAR-TRE-c317dd82-41
0.325
MAR-TRE-8190bb11-17
0.323
MAR-TRE-8190bb11-90
0.323
MAR-TRE-be9ff7d2-64
0.322
MAR-TRE-a9136c7b-70
0.322
MAR-TRE-66ac689e-95
0.322
MAR-TRE-92684b97-71
0.322
MAR-TRE-8190bb11-71
0.321
MAR-TRE-9d18ae8c-80
0.319
MAR-TRE-66ac689e-93
0.318
MAR-TRE-4f781e27-14
0.318
MAR-TRE-9d18ae8c-28
0.318
MAR-TRE-66ac689e-80
0.318
MAR-TRE-8190bb11-59
0.318
MAR-TRE-8190bb11-28
0.318
MAR-TRE-92684b97-17
0.318
MAR-TRE-92684b97-35
0.318
MAR-TRE-be9ff7d2-47
0.317
MAR-TRE-66ac689e-61
0.315
MAR-TRE-9d18ae8c-60
0.315
MAR-TRE-8190bb11-10
0.315
MAR-TRE-4f781e27-45
0.315
MAR-TRE-92684b97-85
0.315
MAR-TRE-8190bb11-11
0.314
MAR-TRE-9d18ae8c-64
0.314
MAR-TRE-a9136c7b-66
0.314
MAR-TRE-e82e6c98-70
0.313
MAR-TRE-799db12b-95
0.313
MAR-TRE-8190bb11-91
0.313
MAR-TRE-66ac689e-19
0.312