Molecular Properties | |
SMILES: | CCC(NC(=O)c1cncnc1)c1nnc2n1CCCCC2 |
MW: | 300.17 |
Fraction sp3: | 0.53 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 85.59 |
cLogP: | 1.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-38
0.671
MAR-TRE-4f781e27-65
0.494
MAR-TRE-66ac689e-66
0.434
MAR-TRE-799db12b-70
0.434
MAR-TRE-be9ff7d2-26
0.389
MAR-TRE-a9136c7b-69
0.382
MAR-TRE-8190bb11-90
0.367
MAR-TRE-e82e6c98-71
0.357
MAR-TRE-be9ff7d2-55
0.356
MAR-TRE-92684b97-87
0.354
MAR-TRE-be9ff7d2-16
0.353
MAR-TRE-e82e6c98-70
0.346
MAR-TRE-c317dd82-85
0.344
MAR-TRE-799db12b-11
0.344
MAR-TRE-9d18ae8c-59
0.341
MAR-TRE-e82e6c98-34
0.341
MAR-TRE-92684b97-56
0.337
MAR-TRE-a9136c7b-49
0.337
MAR-TRE-66ac689e-57
0.333
MAR-TRE-66ac689e-80
0.333
MAR-TRE-be9ff7d2-47
0.333
MAR-TRE-66ac689e-49
0.333
MAR-TRE-66ac689e-79
0.333
MAR-TRE-e82e6c98-13
0.330
MAR-TRE-9d18ae8c-21
0.329
MAR-TRE-8190bb11-47
0.329
MAR-TRE-8190bb11-11
0.329
MAR-TRE-66ac689e-18
0.326
MAR-TRE-66ac689e-62
0.325
MAR-TRE-e82e6c98-30
0.325
MAR-TRE-8190bb11-93
0.323
MAR-TRE-66ac689e-95
0.322
MAR-TRE-92684b97-71
0.322
MAR-TRE-be9ff7d2-42
0.322
MAR-TRE-799db12b-47
0.322
MAR-TRE-c317dd82-96
0.321
MAR-TRE-be9ff7d2-48
0.321
MAR-TRE-c317dd82-48
0.321
MAR-TRE-a9136c7b-67
0.319
MAR-TRE-e82e6c98-8
0.319
MAR-TRE-9d18ae8c-80
0.319
MAR-TRE-9d18ae8c-40
0.318
MAR-TRE-92684b97-86
0.318
MAR-TRE-9d18ae8c-97
0.318
MAR-TRE-799db12b-94
0.318
MAR-TRE-c317dd82-94
0.318
MAR-TRE-799db12b-46
0.318
MAR-TRE-4f781e27-73
0.318
MAR-TRE-799db12b-8
0.316
MAR-TRE-4f781e27-71
0.315
MAR-TRE-a9136c7b-89
0.315
MAR-TRE-92684b97-85
0.315
MAR-TRE-799db12b-63
0.315
MAR-TRE-9d18ae8c-87
0.314
MAR-TRE-799db12b-98
0.312
MAR-TRE-66ac689e-19
0.312
MAR-TRE-92684b97-36
0.312
MAR-TRE-e82e6c98-46
0.312
MAR-TRE-66ac689e-87
0.312
MAR-TRE-a9136c7b-55
0.311
MAR-TRE-4f781e27-44
0.311
MAR-TRE-799db12b-50
0.311
MAR-TRE-4f781e27-91
0.310
MAR-TRE-4f781e27-24
0.310
MAR-TRE-66ac689e-41
0.310
MAR-TRE-c317dd82-3
0.310
MAR-TRE-a9136c7b-58
0.309
MAR-TRE-66ac689e-97
0.308
MAR-TRE-799db12b-80
0.308
MAR-TRE-799db12b-15
0.308
MAR-TRE-e82e6c98-65
0.307
MAR-TRE-a9136c7b-29
0.306
MAR-TRE-e82e6c98-47
0.306
MAR-TRE-c317dd82-89
0.305
MAR-TRE-799db12b-62
0.305
MAR-TRE-8190bb11-6
0.304
MAR-TRE-be9ff7d2-35
0.304
MAR-TRE-e82e6c98-52
0.304
MAR-TRE-4f781e27-4
0.304
MAR-TRE-92684b97-100
0.304
MAR-TRE-66ac689e-21
0.304
MAR-TRE-a9136c7b-33
0.303
MAR-TRE-4f781e27-39
0.302
MAR-TRE-92684b97-93
0.302
MAR-TRE-a9136c7b-59
0.301
MAR-TRE-c317dd82-44
0.301
MAR-TRE-be9ff7d2-92
0.301
MAR-TRE-a9136c7b-46
0.301
MAR-TRE-66ac689e-68
0.300
MAR-TRE-9d18ae8c-58
0.300
MAR-TRE-c317dd82-83
0.299
MAR-TRE-66ac689e-60
0.299
MAR-TRE-92684b97-5
0.298
MAR-TRE-9d18ae8c-50
0.298
MAR-TRE-a9136c7b-44
0.298
MAR-TRE-66ac689e-84
0.297
MAR-TRE-9d18ae8c-57
0.297
MAR-TRE-9d18ae8c-65
0.296
MAR-TRE-799db12b-49
0.296
MAR-TRE-c317dd82-46
0.295