Molecular Properties | |
SMILES: | CC1(C)CCc2onc(CNC(=O)c3cncnc3)c2C1 |
MW: | 286.14 |
Fraction sp3: | 0.47 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 80.91 |
cLogP: | 1.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-84
0.568
MAR-TRE-e82e6c98-95
0.422
MAR-TRE-799db12b-98
0.382
MAR-TRE-be9ff7d2-11
0.380
MAR-TRE-66ac689e-69
0.378
MAR-TRE-be9ff7d2-1
0.370
MAR-TRE-e82e6c98-91
0.365
MAR-TRE-c317dd82-75
0.362
MAR-TRE-e82e6c98-93
0.360
MAR-TRE-8190bb11-24
0.359
MAR-TRE-4f781e27-99
0.358
MAR-TRE-4f781e27-88
0.356
MAR-TRE-4f781e27-65
0.356
MAR-TRE-799db12b-59
0.352
MAR-TRE-c317dd82-11
0.348
MAR-TRE-e82e6c98-67
0.347
MAR-TRE-e82e6c98-16
0.345
MAR-TRE-8190bb11-88
0.345
MAR-TRE-a9136c7b-37
0.344
MAR-TRE-be9ff7d2-67
0.342
MAR-TRE-8190bb11-85
0.342
MAR-TRE-e82e6c98-23
0.341
MAR-TRE-e82e6c98-12
0.341
MAR-TRE-92684b97-54
0.341
MAR-TRE-c317dd82-81
0.341
MAR-TRE-be9ff7d2-81
0.341
MAR-TRE-9d18ae8c-95
0.338
MAR-TRE-e82e6c98-68
0.338
MAR-TRE-8190bb11-50
0.337
MAR-TRE-92684b97-64
0.337
MAR-TRE-92684b97-11
0.333
MAR-TRE-92684b97-14
0.333
MAR-TRE-8190bb11-40
0.333
MAR-TRE-4f781e27-92
0.333
MAR-TRE-92684b97-78
0.333
MAR-TRE-8190bb11-13
0.333
MAR-TRE-8190bb11-73
0.330
MAR-TRE-92684b97-82
0.330
MAR-TRE-66ac689e-21
0.330
MAR-TRE-be9ff7d2-17
0.329
MAR-TRE-a9136c7b-54
0.329
MAR-TRE-66ac689e-12
0.329
MAR-TRE-4f781e27-22
0.329
MAR-TRE-92684b97-74
0.329
MAR-TRE-799db12b-11
0.326
MAR-TRE-be9ff7d2-54
0.326
MAR-TRE-be9ff7d2-92
0.326
MAR-TRE-e82e6c98-64
0.326
MAR-TRE-799db12b-7
0.326
MAR-TRE-be9ff7d2-34
0.326
MAR-TRE-be9ff7d2-70
0.326
MAR-TRE-66ac689e-26
0.326
MAR-TRE-8190bb11-82
0.326
MAR-TRE-9d18ae8c-89
0.325
MAR-TRE-e82e6c98-76
0.325
MAR-TRE-e82e6c98-55
0.325
MAR-TRE-799db12b-35
0.325
MAR-TRE-9d18ae8c-96
0.325
MAR-TRE-c317dd82-83
0.323
MAR-TRE-66ac689e-74
0.322
MAR-TRE-be9ff7d2-60
0.322
MAR-TRE-4f781e27-75
0.322
MAR-TRE-c317dd82-86
0.322
MAR-TRE-be9ff7d2-18
0.322
MAR-TRE-66ac689e-37
0.322
MAR-TRE-66ac689e-59
0.321
MAR-TRE-9d18ae8c-13
0.319
MAR-TRE-c317dd82-74
0.319
MAR-TRE-e82e6c98-6
0.319
MAR-TRE-e82e6c98-97
0.319
MAR-TRE-a9136c7b-80
0.319
MAR-TRE-4f781e27-83
0.319
MAR-TRE-a9136c7b-24
0.318
MAR-TRE-799db12b-44
0.318
MAR-TRE-c317dd82-55
0.318
MAR-TRE-92684b97-95
0.318
MAR-TRE-92684b97-52
0.317
MAR-TRE-be9ff7d2-90
0.317
MAR-TRE-a9136c7b-17
0.315
MAR-TRE-8190bb11-83
0.315
MAR-TRE-66ac689e-1
0.315
MAR-TRE-e82e6c98-8
0.315
MAR-TRE-799db12b-27
0.315
MAR-TRE-e82e6c98-1
0.314
MAR-TRE-be9ff7d2-49
0.313
MAR-TRE-e82e6c98-57
0.313
MAR-TRE-8190bb11-42
0.313
MAR-TRE-c317dd82-31
0.313
MAR-TRE-799db12b-18
0.312
MAR-TRE-c317dd82-67
0.312
MAR-TRE-c317dd82-12
0.312
MAR-TRE-be9ff7d2-2
0.312
MAR-TRE-c317dd82-37
0.311
MAR-TRE-e82e6c98-5
0.311
MAR-TRE-92684b97-96
0.311
MAR-TRE-66ac689e-29
0.311
MAR-TRE-9d18ae8c-81
0.311
MAR-TRE-799db12b-52
0.311
MAR-TRE-8190bb11-81
0.310
MAR-TRE-be9ff7d2-40
0.310