Molecular Properties | |
SMILES: | Cc1nc(C(C)(CC(=O)O)NC(=O)c2cncnc2)cs1 |
MW: | 306.08 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 105.07 |
cLogP: | 1.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-9
0.444
MAR-TRE-799db12b-66
0.432
MAR-TRE-8190bb11-74
0.427
MAR-TRE-799db12b-90
0.412
MAR-TRE-799db12b-75
0.400
MAR-TRE-66ac689e-23
0.397
MAR-TRE-66ac689e-14
0.378
MAR-TRE-66ac689e-75
0.375
MAR-TRE-4f781e27-78
0.375
MAR-TRE-799db12b-41
0.373
MAR-TRE-e82e6c98-68
0.370
MAR-TRE-4f781e27-32
0.360
MAR-TRE-e82e6c98-23
0.355
MAR-TRE-e82e6c98-39
0.355
MAR-TRE-8190bb11-31
0.353
MAR-TRE-e82e6c98-15
0.351
MAR-TRE-be9ff7d2-65
0.351
MAR-TRE-66ac689e-70
0.342
MAR-TRE-66ac689e-86
0.342
MAR-TRE-8190bb11-62
0.342
MAR-TRE-92684b97-83
0.342
MAR-TRE-9d18ae8c-21
0.338
MAR-TRE-92684b97-26
0.338
MAR-TRE-e82e6c98-29
0.338
MAR-TRE-8190bb11-92
0.333
MAR-TRE-be9ff7d2-1
0.333
MAR-TRE-66ac689e-18
0.333
MAR-TRE-8190bb11-58
0.333
MAR-TRE-c317dd82-66
0.329
MAR-TRE-799db12b-70
0.329
MAR-TRE-8190bb11-36
0.329
MAR-TRE-e82e6c98-75
0.329
MAR-TRE-4f781e27-74
0.329
MAR-TRE-92684b97-56
0.329
MAR-TRE-c317dd82-76
0.325
MAR-TRE-a9136c7b-81
0.325
MAR-TRE-be9ff7d2-98
0.325
MAR-TRE-8190bb11-22
0.325
MAR-TRE-92684b97-86
0.325
MAR-TRE-92684b97-74
0.325
MAR-TRE-be9ff7d2-45
0.321
MAR-TRE-e82e6c98-70
0.320
MAR-TRE-8190bb11-85
0.320
MAR-TRE-a9136c7b-73
0.318
MAR-TRE-799db12b-50
0.317
MAR-TRE-c317dd82-82
0.316
MAR-TRE-66ac689e-59
0.316
MAR-TRE-9d18ae8c-76
0.316
MAR-TRE-9d18ae8c-59
0.316
MAR-TRE-c317dd82-21
0.315
MAR-TRE-c317dd82-26
0.314
MAR-TRE-c317dd82-6
0.313
MAR-TRE-8190bb11-40
0.313
MAR-TRE-c317dd82-55
0.312
MAR-TRE-e82e6c98-100
0.312
MAR-TRE-8190bb11-55
0.312
MAR-TRE-92684b97-78
0.311
MAR-TRE-8190bb11-73
0.310
MAR-TRE-e82e6c98-16
0.309
MAR-TRE-4f781e27-72
0.308
MAR-TRE-a9136c7b-45
0.307
MAR-TRE-be9ff7d2-47
0.307
MAR-TRE-c317dd82-71
0.306
MAR-TRE-be9ff7d2-92
0.306
MAR-TRE-be9ff7d2-34
0.305
MAR-TRE-be9ff7d2-66
0.305
MAR-TRE-e82e6c98-12
0.305
MAR-TRE-8190bb11-82
0.305
MAR-TRE-9d18ae8c-73
0.304
MAR-TRE-4f781e27-50
0.304
MAR-TRE-92684b97-40
0.304
MAR-TRE-8190bb11-24
0.303
MAR-TRE-a9136c7b-100
0.302
MAR-TRE-92684b97-64
0.302
MAR-TRE-9d18ae8c-96
0.301
MAR-TRE-e82e6c98-89
0.300
MAR-TRE-e82e6c98-27
0.299
MAR-TRE-66ac689e-97
0.298
MAR-TRE-be9ff7d2-28
0.298
MAR-TRE-e82e6c98-60
0.298
MAR-TRE-799db12b-44
0.298
MAR-TRE-799db12b-47
0.296
MAR-TRE-be9ff7d2-43
0.296
MAR-TRE-4f781e27-40
0.296
MAR-TRE-92684b97-11
0.296
MAR-TRE-92684b97-66
0.295
MAR-TRE-e82e6c98-7
0.295
MAR-TRE-e82e6c98-77
0.295
MAR-TRE-8190bb11-13
0.295
MAR-TRE-c317dd82-19
0.294
MAR-TRE-e82e6c98-18
0.294
MAR-TRE-e82e6c98-93
0.294
MAR-TRE-66ac689e-21
0.294
MAR-TRE-a9136c7b-23
0.293
MAR-TRE-9d18ae8c-97
0.293
MAR-TRE-a9136c7b-54
0.293
MAR-TRE-4f781e27-28
0.293
MAR-TRE-be9ff7d2-53
0.292
MAR-TRE-be9ff7d2-20
0.291
MAR-TRE-e82e6c98-80
0.291