Molecular Properties | |
SMILES: | COC(=O)CC1(NC(=O)c2cncnc2)CCCOC1 |
MW: | 279.12 |
Fraction sp3: | 0.54 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 90.41 |
cLogP: | 0.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
Long aliphatic chain
MAR-TRE-e82e6c98-55
0.776
MAR-TRE-c317dd82-4
0.410
MAR-TRE-e82e6c98-41
0.394
MAR-TRE-4f781e27-35
0.392
MAR-TRE-4f781e27-33
0.387
MAR-TRE-e82e6c98-71
0.387
MAR-TRE-e82e6c98-83
0.387
MAR-TRE-be9ff7d2-2
0.386
MAR-TRE-e82e6c98-34
0.385
MAR-TRE-92684b97-19
0.385
MAR-TRE-be9ff7d2-76
0.382
MAR-TRE-9d18ae8c-61
0.380
MAR-TRE-66ac689e-5
0.375
MAR-TRE-be9ff7d2-66
0.372
MAR-TRE-9d18ae8c-76
0.370
MAR-TRE-c317dd82-40
0.367
MAR-TRE-92684b97-95
0.364
MAR-TRE-c317dd82-90
0.358
MAR-TRE-be9ff7d2-79
0.358
MAR-TRE-9d18ae8c-96
0.357
MAR-TRE-e82e6c98-66
0.354
MAR-TRE-a9136c7b-27
0.353
MAR-TRE-9d18ae8c-72
0.351
MAR-TRE-9d18ae8c-95
0.351
MAR-TRE-c317dd82-68
0.347
MAR-TRE-c317dd82-53
0.342
MAR-TRE-4f781e27-22
0.342
MAR-TRE-c317dd82-62
0.341
MAR-TRE-92684b97-73
0.337
MAR-TRE-c317dd82-47
0.337
MAR-TRE-c317dd82-34
0.333
MAR-TRE-c317dd82-86
0.333
MAR-TRE-be9ff7d2-36
0.333
MAR-TRE-e82e6c98-56
0.333
MAR-TRE-e82e6c98-9
0.333
MAR-TRE-8190bb11-20
0.329
MAR-TRE-799db12b-54
0.329
MAR-TRE-799db12b-80
0.329
MAR-TRE-66ac689e-55
0.329
MAR-TRE-be9ff7d2-16
0.329
MAR-TRE-be9ff7d2-72
0.329
MAR-TRE-e82e6c98-81
0.329
MAR-TRE-92684b97-71
0.329
MAR-TRE-92684b97-76
0.329
MAR-TRE-c317dd82-96
0.329
MAR-TRE-92684b97-52
0.329
MAR-TRE-9d18ae8c-39
0.329
MAR-TRE-4f781e27-67
0.326
MAR-TRE-799db12b-66
0.325
MAR-TRE-799db12b-46
0.325
MAR-TRE-c317dd82-12
0.322
MAR-TRE-92684b97-4
0.322
MAR-TRE-be9ff7d2-91
0.322
MAR-TRE-be9ff7d2-54
0.321
MAR-TRE-66ac689e-90
0.321
MAR-TRE-c317dd82-37
0.321
MAR-TRE-a9136c7b-97
0.321
MAR-TRE-92684b97-54
0.321
MAR-TRE-8190bb11-74
0.321
MAR-TRE-e82e6c98-40
0.318
MAR-TRE-c317dd82-73
0.316
MAR-TRE-be9ff7d2-83
0.316
MAR-TRE-c317dd82-27
0.315
MAR-TRE-8190bb11-2
0.315
MAR-TRE-8190bb11-39
0.314
MAR-TRE-a9136c7b-69
0.314
MAR-TRE-c317dd82-25
0.314
MAR-TRE-c317dd82-33
0.314
MAR-TRE-a9136c7b-65
0.314
MAR-TRE-9d18ae8c-13
0.314
MAR-TRE-9d18ae8c-55
0.314
MAR-TRE-9d18ae8c-27
0.313
MAR-TRE-92684b97-14
0.313
MAR-TRE-c317dd82-18
0.312
MAR-TRE-e82e6c98-65
0.312
MAR-TRE-66ac689e-95
0.312
MAR-TRE-9d18ae8c-42
0.312
MAR-TRE-4f781e27-21
0.312
MAR-TRE-a9136c7b-29
0.311
MAR-TRE-c317dd82-48
0.311
MAR-TRE-a9136c7b-17
0.310
MAR-TRE-799db12b-62
0.310
MAR-TRE-8190bb11-100
0.310
MAR-TRE-92684b97-82
0.310
MAR-TRE-e82e6c98-52
0.310
MAR-TRE-8190bb11-7
0.310
MAR-TRE-9d18ae8c-68
0.310
MAR-TRE-e82e6c98-16
0.309
MAR-TRE-c317dd82-94
0.309
MAR-TRE-799db12b-94
0.309
MAR-TRE-66ac689e-80
0.309
MAR-TRE-9d18ae8c-40
0.309
MAR-TRE-66ac689e-57
0.308
MAR-TRE-9d18ae8c-71
0.308
MAR-TRE-be9ff7d2-49
0.308
MAR-TRE-c317dd82-13
0.307
MAR-TRE-92684b97-57
0.307
MAR-TRE-be9ff7d2-47
0.307
MAR-TRE-8190bb11-38
0.306
MAR-TRE-8190bb11-41
0.305