Molecular Properties | |
SMILES: | CC(C)c1nnc(C(NC(=O)c2cncnc2)C2CCOCC2)o1 |
MW: | 331.16 |
Fraction sp3: | 0.56 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.03 |
cLogP: | 1.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-35
0.754
MAR-TRE-be9ff7d2-29
0.620
MAR-TRE-8190bb11-56
0.542
MAR-TRE-799db12b-62
0.532
MAR-TRE-be9ff7d2-55
0.526
MAR-TRE-c317dd82-85
0.506
MAR-TRE-a9136c7b-29
0.506
MAR-TRE-92684b97-3
0.500
MAR-TRE-c317dd82-96
0.419
MAR-TRE-9d18ae8c-57
0.418
MAR-TRE-be9ff7d2-78
0.412
MAR-TRE-e82e6c98-79
0.400
MAR-TRE-be9ff7d2-16
0.397
MAR-TRE-c317dd82-71
0.386
MAR-TRE-e82e6c98-71
0.367
MAR-TRE-e82e6c98-56
0.366
MAR-TRE-e82e6c98-34
0.366
MAR-TRE-92684b97-87
0.364
MAR-TRE-92684b97-100
0.357
MAR-TRE-92684b97-36
0.349
MAR-TRE-e82e6c98-88
0.349
MAR-TRE-c317dd82-48
0.347
MAR-TRE-be9ff7d2-69
0.346
MAR-TRE-8190bb11-98
0.346
MAR-TRE-a9136c7b-67
0.341
MAR-TRE-c317dd82-62
0.341
MAR-TRE-be9ff7d2-68
0.337
MAR-TRE-66ac689e-61
0.337
MAR-TRE-799db12b-8
0.337
MAR-TRE-c317dd82-67
0.337
MAR-TRE-9d18ae8c-59
0.333
MAR-TRE-a9136c7b-74
0.333
MAR-TRE-8190bb11-72
0.333
MAR-TRE-4f781e27-29
0.333
MAR-TRE-be9ff7d2-60
0.333
MAR-TRE-e82e6c98-81
0.329
MAR-TRE-4f781e27-40
0.329
MAR-TRE-92684b97-27
0.329
MAR-TRE-e82e6c98-52
0.326
MAR-TRE-be9ff7d2-47
0.325
MAR-TRE-9d18ae8c-86
0.322
MAR-TRE-a9136c7b-97
0.322
MAR-TRE-c317dd82-98
0.321
MAR-TRE-4f781e27-38
0.318
MAR-TRE-9d18ae8c-37
0.318
MAR-TRE-4f781e27-24
0.317
MAR-TRE-9d18ae8c-88
0.317
MAR-TRE-e82e6c98-30
0.316
MAR-TRE-8190bb11-5
0.316
MAR-TRE-c317dd82-27
0.316
MAR-TRE-799db12b-45
0.315
MAR-TRE-66ac689e-66
0.314
MAR-TRE-a9136c7b-93
0.310
MAR-TRE-be9ff7d2-79
0.310
MAR-TRE-4f781e27-77
0.310
MAR-TRE-a9136c7b-77
0.310
MAR-TRE-9d18ae8c-80
0.310
MAR-TRE-be9ff7d2-98
0.310
DAV-IMP-59dd6621-13
0.310
MAR-TRE-4f781e27-14
0.310
MAR-TRE-e82e6c98-72
0.309
MAR-TRE-799db12b-18
0.309
MAR-TRE-be9ff7d2-74
0.308
MAR-TRE-c317dd82-12
0.308
MAR-TRE-c317dd82-88
0.308
MAR-TRE-9d18ae8c-60
0.307
MAR-TRE-66ac689e-45
0.307
MAR-TRE-a9136c7b-62
0.307
MAR-TRE-be9ff7d2-54
0.307
MAR-TRE-be9ff7d2-81
0.307
MAR-TRE-e82e6c98-87
0.307
RED-RED-10c9212c-47
0.307
MAR-TRE-be9ff7d2-66
0.306
MAR-TRE-4f781e27-45
0.306
MAR-TRE-9d18ae8c-85
0.305
MAR-TRE-9d18ae8c-64
0.305
MAR-TRE-8190bb11-11
0.305
MAR-TRE-a9136c7b-19
0.304
MAK-UNK-748f8b7a-3
0.304
MAR-TRE-8190bb11-91
0.304
MAR-TRE-66ac689e-77
0.303
MAR-TRE-e82e6c98-10
0.303
MAR-TRE-799db12b-82
0.303
MAR-TRE-a9136c7b-82
0.303
MAR-TRE-9d18ae8c-96
0.303
MAR-TRE-c317dd82-40
0.302
MAR-TRE-66ac689e-84
0.302
MAR-TRE-66ac689e-71
0.302
MAR-TRE-c317dd82-46
0.301
MAR-TRE-66ac689e-3
0.301
MAR-TRE-c317dd82-73
0.301
MAR-TRE-c317dd82-82
0.301
MAR-TRE-8190bb11-97
0.301
MAR-TRE-e82e6c98-42
0.301
MAR-TRE-9d18ae8c-76
0.300
MAR-TRE-a9136c7b-11
0.299
MAR-TRE-be9ff7d2-64
0.299
MAR-TRE-a9136c7b-49
0.299
MAR-TRE-a9136c7b-70
0.299
MAR-TRE-c317dd82-41
0.299