Molecular Properties | |
SMILES: | CNC(=O)c1cc(CNC(=O)c2cncnc2)n2c1CCCC2 |
MW: | 313.15 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 88.91 |
cLogP: | 0.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-98
0.453
MAR-TRE-4f781e27-65
0.429
MAR-TRE-e82e6c98-93
0.400
MAR-TRE-66ac689e-21
0.384
MAR-TRE-9d18ae8c-65
0.370
MAR-TRE-66ac689e-78
0.368
MAR-TRE-4f781e27-99
0.366
MAR-TRE-e82e6c98-5
0.364
MAR-TRE-66ac689e-29
0.364
MAR-TRE-799db12b-14
0.359
MAR-TRE-8190bb11-13
0.358
MAR-TRE-c317dd82-55
0.357
MAR-TRE-799db12b-70
0.356
MAR-TRE-66ac689e-66
0.356
MAR-TRE-9d18ae8c-84
0.356
MAR-TRE-66ac689e-47
0.356
MAR-TRE-8190bb11-42
0.354
MAR-TRE-e82e6c98-16
0.353
MAR-TRE-e82e6c98-8
0.352
MAR-TRE-be9ff7d2-67
0.351
MAR-TRE-8190bb11-24
0.350
MAR-TRE-8190bb11-85
0.350
MAR-TRE-e82e6c98-12
0.349
MAR-TRE-66ac689e-26
0.349
MAR-TRE-be9ff7d2-92
0.348
MAR-TRE-799db12b-69
0.348
MAR-TRE-e82e6c98-68
0.346
MAR-TRE-e82e6c98-35
0.345
MAR-TRE-4f781e27-38
0.344
MAR-TRE-c317dd82-83
0.344
MAR-TRE-8190bb11-61
0.344
MAR-TRE-8190bb11-99
0.344
MAR-TRE-92684b97-78
0.342
MAR-TRE-92684b97-11
0.341
MAR-TRE-a9136c7b-24
0.341
MAR-TRE-799db12b-44
0.341
MAR-TRE-66ac689e-20
0.341
MAR-TRE-9d18ae8c-30
0.341
MAR-TRE-4f781e27-48
0.341
MAR-TRE-e82e6c98-26
0.337
MAR-TRE-e82e6c98-57
0.337
MAR-TRE-92684b97-74
0.337
MAR-TRE-a9136c7b-54
0.337
MAR-TRE-66ac689e-12
0.337
MAR-TRE-4f781e27-28
0.337
MAR-TRE-799db12b-52
0.333
MAR-TRE-8190bb11-31
0.333
MAR-TRE-c317dd82-81
0.333
MAR-TRE-9d18ae8c-89
0.333
MAR-TRE-799db12b-7
0.333
MAR-TRE-799db12b-18
0.333
MAR-TRE-799db12b-35
0.333
MAR-TRE-4f781e27-88
0.333
MAR-TRE-8190bb11-27
0.330
MAR-TRE-a9136c7b-31
0.330
MAR-TRE-799db12b-65
0.330
MAR-TRE-66ac689e-54
0.330
MAR-TRE-9d18ae8c-34
0.330
MAR-TRE-8190bb11-33
0.330
MAR-TRE-66ac689e-37
0.330
MAR-TRE-66ac689e-69
0.326
MAR-TRE-c317dd82-11
0.326
MAR-TRE-799db12b-72
0.326
MAR-TRE-9d18ae8c-55
0.326
MAR-TRE-4f781e27-92
0.326
MAR-TRE-e82e6c98-60
0.326
MAR-TRE-e82e6c98-91
0.326
MAR-TRE-9d18ae8c-53
0.326
MAR-TRE-be9ff7d2-90
0.325
MAR-TRE-e82e6c98-47
0.325
MAR-TRE-9d18ae8c-16
0.323
MAR-TRE-a9136c7b-17
0.323
MAR-TRE-be9ff7d2-99
0.323
MAR-TRE-be9ff7d2-14
0.322
MAR-TRE-799db12b-27
0.322
MAR-TRE-799db12b-89
0.322
MAR-TRE-8190bb11-73
0.322
MAR-TRE-8190bb11-86
0.322
MAR-TRE-8190bb11-88
0.322
MAR-TRE-be9ff7d2-17
0.322
MAR-TRE-be9ff7d2-11
0.321
MAR-TRE-e82e6c98-64
0.319
MAR-TRE-8190bb11-82
0.318
MAR-TRE-8190bb11-81
0.318
MAR-TRE-be9ff7d2-34
0.318
MAR-TRE-e82e6c98-25
0.316
MAR-TRE-799db12b-64
0.316
MAR-TRE-be9ff7d2-55
0.315
MAR-TRE-be9ff7d2-60
0.315
MAR-TRE-799db12b-48
0.315
MAR-TRE-be9ff7d2-82
0.315
MAR-TRE-92684b97-64
0.315
MAR-TRE-a9136c7b-100
0.315
MAR-TRE-4f781e27-75
0.315
MAR-TRE-66ac689e-73
0.315
MAR-TRE-4f781e27-76
0.315
MAR-TRE-be9ff7d2-18
0.315
MAR-TRE-be9ff7d2-1
0.314
MAR-TRE-8190bb11-50
0.314
MAR-TRE-c317dd82-22
0.313