Molecular Properties | |
SMILES: | CC(C)(C)c1nc(C(C)(C)NC(=O)c2cncnc2)no1 |
MW: | 289.15 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 93.8 |
cLogP: | 1.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-39
0.426
MAR-TRE-be9ff7d2-65
0.382
MAR-TRE-799db12b-70
0.373
MAR-TRE-66ac689e-23
0.371
MAR-TRE-4f781e27-78
0.368
MAR-TRE-66ac689e-75
0.368
MAR-TRE-799db12b-41
0.366
MAR-TRE-e82e6c98-9
0.361
MAR-TRE-66ac689e-14
0.352
MAR-TRE-66ac689e-86
0.352
MAR-TRE-8190bb11-62
0.352
MAR-TRE-66ac689e-70
0.352
MAR-TRE-4f781e27-32
0.352
MAR-TRE-e82e6c98-11
0.351
MAR-TRE-799db12b-66
0.351
MAR-TRE-c317dd82-76
0.351
MAR-TRE-8190bb11-85
0.348
MAR-TRE-8190bb11-74
0.347
MAR-TRE-c317dd82-82
0.342
MAR-TRE-8190bb11-36
0.338
MAR-TRE-4f781e27-74
0.338
MAR-TRE-be9ff7d2-28
0.338
MAR-TRE-a9136c7b-81
0.333
MAR-TRE-8190bb11-22
0.333
MAR-TRE-92684b97-83
0.333
MAR-TRE-be9ff7d2-91
0.329
MAR-TRE-92684b97-26
0.329
MAR-TRE-8190bb11-58
0.325
MAR-TRE-8190bb11-92
0.325
MAR-TRE-c317dd82-73
0.324
MAR-TRE-e82e6c98-89
0.324
MAR-TRE-e82e6c98-68
0.324
MAR-TRE-66ac689e-36
0.321
MAR-TRE-66ac689e-94
0.321
MAR-TRE-4f781e27-51
0.321
MAR-TRE-92684b97-95
0.320
MAR-TRE-66ac689e-64
0.316
MAR-TRE-c317dd82-62
0.316
MAR-TRE-92684b97-74
0.315
MAR-TRE-799db12b-85
0.313
MAR-TRE-a9136c7b-45
0.313
MAR-TRE-be9ff7d2-29
0.312
MAR-TRE-9d18ae8c-21
0.311
MAR-TRE-9d18ae8c-85
0.311
MAR-TRE-c317dd82-97
0.309
MAR-TRE-799db12b-75
0.309
MAR-TRE-a9136c7b-21
0.307
MAR-TRE-a9136c7b-26
0.306
MAR-TRE-66ac689e-69
0.306
MAR-TRE-799db12b-90
0.305
MAR-TRE-9d18ae8c-55
0.305
MAR-TRE-c317dd82-21
0.304
MAR-TRE-9d18ae8c-84
0.304
MAR-TRE-799db12b-44
0.304
MAR-TRE-be9ff7d2-13
0.303
MAR-TRE-c317dd82-55
0.303
MAR-TRE-be9ff7d2-79
0.300
MAR-TRE-92684b97-79
0.300
MAR-TRE-92684b97-100
0.300
MAR-TRE-c317dd82-48
0.300
MAR-TRE-e82e6c98-1
0.299
MAR-TRE-9d18ae8c-40
0.299
MAR-TRE-a9136c7b-54
0.299
MAR-TRE-4f781e27-72
0.297
MAR-TRE-be9ff7d2-63
0.297
MAR-TRE-e82e6c98-95
0.296
MAR-TRE-e82e6c98-94
0.296
MAR-TRE-be9ff7d2-47
0.296
MAR-TRE-e82e6c98-66
0.295
MAR-TRE-799db12b-38
0.295
MAR-TRE-a9136c7b-73
0.294
MAR-TRE-e82e6c98-55
0.293
MAR-TRE-4f781e27-99
0.293
MAR-TRE-92684b97-40
0.293
MAR-TRE-e82e6c98-38
0.293
MAR-TRE-92684b97-36
0.293
MAR-TRE-8190bb11-24
0.292
MAR-TRE-e82e6c98-58
0.291
MAR-TRE-c317dd82-57
0.291
MAR-TRE-9d18ae8c-96
0.290
MAR-TRE-be9ff7d2-67
0.290
MAR-TRE-be9ff7d2-1
0.289
MAR-TRE-4f781e27-17
0.289
MAR-TRE-be9ff7d2-83
0.289
MAR-TRE-a9136c7b-92
0.289
MAR-TRE-4f781e27-42
0.289
MAR-TRE-be9ff7d2-94
0.288
MAR-TRE-e82e6c98-30
0.288
MAR-TRE-9d18ae8c-72
0.288
MAR-TRE-9d18ae8c-95
0.288
MAR-TRE-be9ff7d2-97
0.287
MAR-TRE-a9136c7b-24
0.287
MAR-TRE-c317dd82-6
0.287
MAR-TRE-a9136c7b-37
0.287
MAR-TRE-be9ff7d2-69
0.286
MAR-TRE-e82e6c98-75
0.286
MAR-TRE-e82e6c98-81
0.286
MAR-TRE-8190bb11-83
0.286
MAR-TRE-be9ff7d2-72
0.286
MAR-TRE-be9ff7d2-56
0.286