Molecular Properties | |
SMILES: | COC(=O)CC(C)(NC(=O)c1cncnc1)c1ccncc1 |
MW: | 300.12 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 94.07 |
cLogP: | 1.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
Long aliphatic chain
MAR-TRE-799db12b-66
0.733
MAR-TRE-8190bb11-74
0.721
MAR-TRE-799db12b-75
0.618
MAR-TRE-799db12b-90
0.609
MAR-TRE-66ac689e-23
0.449
MAR-TRE-e82e6c98-11
0.444
MAR-TRE-799db12b-41
0.443
MAR-TRE-66ac689e-86
0.429
MAR-TRE-66ac689e-70
0.429
MAR-TRE-66ac689e-75
0.426
MAR-TRE-4f781e27-78
0.406
MAR-TRE-a9136c7b-81
0.405
MAR-TRE-4f781e27-74
0.392
MAR-TRE-66ac689e-14
0.389
MAR-TRE-9d18ae8c-40
0.387
MAR-TRE-e82e6c98-70
0.386
MAR-TRE-92684b97-26
0.384
MAR-TRE-be9ff7d2-65
0.380
MAR-TRE-8190bb11-58
0.377
MAR-TRE-8190bb11-36
0.373
MAR-TRE-8190bb11-62
0.370
MAR-TRE-4f781e27-32
0.370
MAR-TRE-8190bb11-85
0.366
MAR-TRE-9d18ae8c-85
0.365
MAR-TRE-e82e6c98-15
0.361
MAR-TRE-e82e6c98-54
0.356
MAR-TRE-be9ff7d2-28
0.354
MAR-TRE-799db12b-44
0.354
MAR-TRE-799db12b-80
0.354
MAR-TRE-4f781e27-39
0.351
MAR-TRE-c317dd82-76
0.351
MAR-TRE-799db12b-46
0.351
MAR-TRE-8190bb11-22
0.351
MAR-TRE-92684b97-83
0.351
MAR-TRE-92684b97-82
0.350
MAR-TRE-9d18ae8c-21
0.347
MAR-TRE-66ac689e-88
0.347
MAR-TRE-e82e6c98-55
0.347
MAR-TRE-92684b97-54
0.346
MAR-TRE-be9ff7d2-36
0.342
MAR-TRE-66ac689e-58
0.342
MAR-TRE-e82e6c98-71
0.342
MAR-TRE-66ac689e-18
0.342
MAR-TRE-799db12b-50
0.342
MAR-TRE-8190bb11-92
0.342
MAR-TRE-c317dd82-48
0.338
MAR-TRE-92684b97-78
0.338
MAR-TRE-92684b97-66
0.338
MAR-TRE-66ac689e-95
0.338
MAR-TRE-92684b97-71
0.338
MAR-TRE-be9ff7d2-47
0.333
MAR-TRE-66ac689e-57
0.333
MAR-TRE-c317dd82-90
0.333
MAR-TRE-e82e6c98-16
0.333
MAR-TRE-e82e6c98-1
0.333
MAR-TRE-66ac689e-80
0.333
MAR-TRE-8190bb11-86
0.333
MAR-TRE-4f781e27-14
0.333
MAR-TRE-a9136c7b-45
0.329
MAR-TRE-8190bb11-38
0.329
MAR-TRE-a9136c7b-98
0.329
MAR-TRE-799db12b-32
0.329
MAR-TRE-799db12b-79
0.329
MAR-TRE-8190bb11-49
0.329
MAR-TRE-e82e6c98-76
0.329
MAR-TRE-e82e6c98-39
0.329
MAR-TRE-e82e6c98-46
0.325
MAR-TRE-799db12b-2
0.325
MAR-TRE-799db12b-33
0.325
MAR-TRE-8190bb11-4
0.325
MAR-TRE-e82e6c98-38
0.325
MAR-TRE-e82e6c98-58
0.325
MAR-TRE-be9ff7d2-83
0.325
MAR-TRE-c317dd82-82
0.325
MAR-TRE-e82e6c98-68
0.324
MAR-TRE-9d18ae8c-76
0.324
MAR-TRE-799db12b-86
0.321
MAR-TRE-be9ff7d2-97
0.321
MAR-TRE-a9136c7b-49
0.321
MAR-TRE-799db12b-70
0.321
MAR-TRE-799db12b-84
0.321
MAR-TRE-92684b97-11
0.321
MAR-TRE-c317dd82-55
0.321
MAR-TRE-799db12b-47
0.321
MAR-TRE-8190bb11-78
0.321
MAR-TRE-e82e6c98-77
0.320
MAR-TRE-e82e6c98-14
0.317
MAR-TRE-4f781e27-56
0.317
MAR-TRE-4f781e27-80
0.317
MAR-TRE-c317dd82-94
0.316
MAR-TRE-66ac689e-12
0.316
MAR-TRE-be9ff7d2-17
0.316
MAR-TRE-799db12b-10
0.316
MAR-TRE-799db12b-94
0.316
MAR-TRE-66ac689e-93
0.316
MAR-TRE-8190bb11-42
0.316
MAR-TRE-8190bb11-48
0.316
MAR-TRE-8190bb11-18
0.314
MAR-TRE-9d18ae8c-43
0.314
MAR-TRE-a9136c7b-46
0.313