Molecular Properties | |
SMILES: | COC(=O)CC(NC(=O)c1cncnc1)c1ccc(Cl)cc1 |
MW: | 319.07 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 81.18 |
cLogP: | 2.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
Long aliphatic chain
MAR-TRE-66ac689e-95
0.750
MAR-TRE-92684b97-71
0.750
MAR-TRE-9d18ae8c-40
0.738
MAR-TRE-799db12b-46
0.738
MAR-TRE-c317dd82-94
0.683
MAR-TRE-66ac689e-79
0.683
MAR-TRE-66ac689e-49
0.645
MAR-TRE-e82e6c98-46
0.623
MAR-TRE-9d18ae8c-59
0.587
MAR-TRE-4f781e27-71
0.586
MAR-TRE-a9136c7b-59
0.586
MAR-TRE-92684b97-2
0.583
MAR-TRE-66ac689e-18
0.576
MAR-TRE-9d18ae8c-21
0.561
MAR-TRE-92684b97-56
0.554
MAR-TRE-e82e6c98-13
0.551
MAR-TRE-799db12b-80
0.535
MAR-TRE-a9136c7b-46
0.521
MAR-TRE-66ac689e-57
0.500
MAR-TRE-799db12b-47
0.500
MAR-TRE-e82e6c98-70
0.500
MAR-TRE-a9136c7b-49
0.493
MAR-TRE-8190bb11-11
0.493
MAR-TRE-4f781e27-70
0.493
MAR-TRE-92684b97-68
0.481
MAR-TRE-799db12b-50
0.479
MAR-TRE-66ac689e-97
0.473
MAR-TRE-799db12b-94
0.472
MAR-TRE-66ac689e-62
0.471
MAR-TRE-66ac689e-64
0.467
MAR-TRE-4f781e27-73
0.457
MAR-TRE-66ac689e-82
0.453
MAR-TRE-92684b97-86
0.452
MAR-TRE-8190bb11-47
0.451
MAR-TRE-a9136c7b-69
0.449
MAR-TRE-66ac689e-56
0.447
MAR-TRE-66ac689e-41
0.444
MAR-TRE-be9ff7d2-48
0.443
MAR-TRE-799db12b-15
0.434
MAR-TRE-a9136c7b-58
0.430
MAR-TRE-a9136c7b-71
0.430
MAR-TRE-a9136c7b-55
0.421
MAR-TRE-799db12b-8
0.420
MAR-TRE-9d18ae8c-85
0.411
MAR-TRE-66ac689e-92
0.410
MAR-TRE-a9136c7b-91
0.408
MAR-TRE-799db12b-61
0.405
MAR-TRE-9d18ae8c-92
0.402
MAR-TRE-92684b97-32
0.402
MAR-TRE-9d18ae8c-24
0.398
MAR-TRE-a9136c7b-70
0.397
MAR-TRE-9d18ae8c-97
0.395
MAR-TRE-8190bb11-6
0.392
MAR-TRE-4f781e27-84
0.392
MAR-TRE-92684b97-80
0.392
MAR-TRE-799db12b-79
0.390
MAR-TRE-92684b97-85
0.390
MAR-TRE-e82e6c98-71
0.387
MAR-TRE-799db12b-96
0.387
MAR-TRE-e82e6c98-20
0.387
MAR-TRE-92684b97-87
0.384
MAR-TRE-9d18ae8c-19
0.381
MAR-TRE-8190bb11-59
0.378
MAR-TRE-9d18ae8c-51
0.378
MAR-TRE-8190bb11-93
0.378
MAR-TRE-a9136c7b-33
0.377
MAR-TRE-4f781e27-14
0.377
MAR-TRE-799db12b-55
0.377
MAR-TRE-4f781e27-4
0.375
MAR-TRE-a9136c7b-66
0.373
MAR-TRE-9d18ae8c-87
0.373
MAR-TRE-799db12b-32
0.372
MAR-TRE-66ac689e-68
0.372
MAR-TRE-e82e6c98-43
0.370
MAR-TRE-8190bb11-5
0.370
MAR-TRE-92684b97-93
0.369
MAR-TRE-a9136c7b-48
0.368
MAR-TRE-8190bb11-54
0.368
MAR-TRE-8190bb11-72
0.368
MAR-TRE-4f781e27-91
0.368
MAR-TRE-92684b97-77
0.368
MAR-TRE-8190bb11-97
0.368
MAR-TRE-e82e6c98-34
0.367
MAR-TRE-66ac689e-71
0.367
MAR-TRE-c317dd82-48
0.366
MAR-TRE-66ac689e-87
0.366
MAR-TRE-799db12b-91
0.365
MAR-TRE-a9136c7b-36
0.364
MAR-TRE-4f781e27-40
0.364
MAR-TRE-92684b97-72
0.364
MAR-TRE-92684b97-88
0.364
MAR-TRE-8190bb11-90
0.361
MAR-TRE-799db12b-78
0.361
MAR-TRE-be9ff7d2-47
0.361
MAR-TRE-a9136c7b-26
0.360
MAR-TRE-66ac689e-93
0.359
MAR-TRE-799db12b-31
0.358
MAR-TRE-4f781e27-56
0.358
MAR-TRE-4f781e27-68
0.358
MAR-TRE-92684b97-92
0.357