Molecular Properties | |
SMILES: | CC1(C)CCCC(NC(=O)c2cncnc2)(C(=O)O)C1 |
MW: | 277.14 |
Fraction sp3: | 0.57 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 92.18 |
cLogP: | 1.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-96
0.589
MAR-TRE-c317dd82-68
0.542
MAR-TRE-9d18ae8c-76
0.492
MAR-TRE-9d18ae8c-39
0.492
MAR-TRE-9d18ae8c-33
0.456
MAR-TRE-e82e6c98-41
0.453
MAR-TRE-9d18ae8c-71
0.433
MAR-TRE-9d18ae8c-72
0.424
MAR-TRE-66ac689e-83
0.417
MAR-TRE-9d18ae8c-31
0.406
MAR-TRE-66ac689e-7
0.400
MAR-TRE-92684b97-76
0.394
MAR-TRE-9d18ae8c-42
0.394
MAR-TRE-9d18ae8c-61
0.373
MAR-TRE-e82e6c98-55
0.366
MAR-TRE-92684b97-4
0.362
MAR-TRE-4f781e27-21
0.357
MAR-TRE-92684b97-95
0.356
MAR-TRE-9d18ae8c-27
0.355
MAR-TRE-e82e6c98-1
0.351
MAR-TRE-be9ff7d2-66
0.347
MAR-TRE-4f781e27-33
0.342
MAR-TRE-e82e6c98-83
0.342
MAR-TRE-92684b97-52
0.338
MAR-TRE-be9ff7d2-76
0.338
MAR-TRE-92684b97-31
0.338
MAR-TRE-66ac689e-55
0.338
MAR-TRE-9d18ae8c-55
0.338
MAR-TRE-92684b97-57
0.333
MAR-TRE-9d18ae8c-68
0.333
MAR-TRE-be9ff7d2-79
0.333
MAR-TRE-c317dd82-53
0.333
MAR-TRE-66ac689e-5
0.333
MAR-TRE-92684b97-73
0.329
MAR-TRE-a9136c7b-97
0.329
MAR-TRE-e82e6c98-66
0.329
MAR-TRE-92684b97-26
0.329
MAR-TRE-92684b97-19
0.325
MAR-TRE-9d18ae8c-32
0.321
MAR-TRE-799db12b-54
0.321
MAR-TRE-e82e6c98-7
0.319
MAR-TRE-4f781e27-35
0.316
MAR-TRE-c317dd82-62
0.316
MAR-TRE-92684b97-39
0.316
MAR-TRE-be9ff7d2-74
0.314
MAR-TRE-be9ff7d2-2
0.313
MAR-TRE-66ac689e-90
0.312
MAR-TRE-be9ff7d2-70
0.312
MAR-TRE-e82e6c98-23
0.311
MAR-TRE-4f781e27-78
0.310
MAR-TRE-66ac689e-75
0.310
MAR-TRE-8190bb11-33
0.308
MAR-TRE-4f781e27-76
0.308
MAR-TRE-c317dd82-93
0.308
MAR-TRE-9d18ae8c-88
0.307
MAR-TRE-c317dd82-82
0.307
MAR-TRE-e82e6c98-9
0.307
MAR-TRE-e82e6c98-68
0.306
MAR-TRE-be9ff7d2-65
0.306
MAR-TRE-c317dd82-21
0.304
MAR-TRE-8190bb11-20
0.304
MAR-TRE-799db12b-70
0.304
MAR-TRE-66ac689e-8
0.304
MAR-TRE-8190bb11-36
0.303
MAR-TRE-4f781e27-74
0.303
MAR-TRE-be9ff7d2-42
0.303
MAR-TRE-4f781e27-41
0.301
MAR-TRE-be9ff7d2-88
0.301
MAR-TRE-4f781e27-7
0.300
MAR-TRE-92684b97-78
0.300
MAR-TRE-e82e6c98-93
0.300
MAR-TRE-8190bb11-22
0.299
MAR-TRE-4f781e27-22
0.299
MAR-TRE-92684b97-83
0.299
MAR-TRE-92684b97-7
0.299
MAR-TRE-c317dd82-76
0.299
MAR-TRE-66ac689e-93
0.299
MAR-TRE-a9136c7b-27
0.298
MAR-TRE-799db12b-11
0.298
MAR-TRE-4f781e27-32
0.297
MAR-TRE-92684b97-17
0.297
MAR-TRE-92684b97-74
0.297
MAR-TRE-be9ff7d2-38
0.297
MAR-TRE-8190bb11-62
0.297
MAR-TRE-66ac689e-70
0.297
MAR-TRE-66ac689e-14
0.297
MAR-TRE-be9ff7d2-11
0.297
MAR-TRE-be9ff7d2-20
0.297
MAR-TRE-e82e6c98-26
0.297
MAR-TRE-66ac689e-23
0.297
MAR-TRE-9d18ae8c-38
0.296
MAR-TRE-e82e6c98-99
0.296
MAR-TRE-c317dd82-81
0.296
MAR-TRE-be9ff7d2-47
0.296
MAR-TRE-c317dd82-88
0.296
MAR-TRE-e82e6c98-94
0.296
MAR-TRE-8190bb11-74
0.295
MAR-TRE-be9ff7d2-15
0.295
MAR-TRE-799db12b-98
0.294
MAR-TRE-8190bb11-11
0.293