Molecular Properties | |
SMILES: | NC(CC(C(=O)O)C(=O)Oc1csc(CCl)n1)C(=O)O |
MW: | 322.0 |
Fraction sp3: | 0.4 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 139.81 |
cLogP: | 0.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Carboxylic acid esters
Filter6_benzyl_halide
too many COOH groups (>1)
amino acid
Ester
Long aliphatic chain
Alkyl Halide
MAR-TRE-36bf7dba-67
0.610
MAR-TRE-36bf7dba-1
0.583
MAR-TRE-36bf7dba-90
0.579
MAR-TRE-36bf7dba-30
0.574
MAR-TRE-36bf7dba-37
0.556
MAR-TRE-36bf7dba-22
0.524
MAR-TRE-36bf7dba-14
0.516
MAR-TRE-36bf7dba-36
0.492
MAR-TRE-36bf7dba-43
0.475
MAR-TRE-36bf7dba-47
0.464
MAR-TRE-36bf7dba-68
0.464
MAR-TRE-36bf7dba-34
0.462
MAR-TRE-36bf7dba-41
0.462
MAR-TRE-36bf7dba-56
0.456
MAR-TRE-36bf7dba-91
0.452
MAR-TRE-36bf7dba-99
0.452
MAR-TRE-36bf7dba-9
0.444
MAR-TRE-36bf7dba-69
0.444
MAR-TRE-36bf7dba-97
0.444
MAR-TRE-36bf7dba-76
0.443
MAR-TRE-36bf7dba-87
0.439
MAR-TRE-36bf7dba-31
0.431
MAR-TRE-36bf7dba-53
0.431
MAR-TRE-36bf7dba-89
0.431
MAR-TRE-36bf7dba-4
0.431
MAR-TRE-36bf7dba-28
0.412
MAR-TRE-36bf7dba-78
0.411
MAR-TRE-36bf7dba-48
0.406
MAR-TRE-36bf7dba-51
0.403
MAR-TRE-36bf7dba-95
0.400
MAR-TRE-36bf7dba-81
0.385
MAR-TRE-36bf7dba-40
0.380
MAR-TRE-36bf7dba-54
0.378
MAR-TRE-36bf7dba-71
0.378
MAR-TRE-36bf7dba-44
0.378
MAR-TRE-36bf7dba-42
0.377
MAR-TRE-36bf7dba-74
0.375
MAR-TRE-36bf7dba-64
0.375
MAR-TRE-36bf7dba-12
0.373
MAR-TRE-36bf7dba-94
0.370
MAR-TRE-36bf7dba-84
0.370
MAR-TRE-36bf7dba-63
0.368
MAR-TRE-36bf7dba-52
0.368
MAR-TRE-36bf7dba-62
0.368
MAR-TRE-36bf7dba-82
0.362
MAR-TRE-36bf7dba-35
0.360
MAR-TRE-36bf7dba-60
0.357
MAR-TRE-36bf7dba-93
0.356
MAR-TRE-36bf7dba-27
0.356
MAR-TRE-36bf7dba-26
0.352
MAR-TRE-aca67d11-74
0.348
MAR-TRE-36bf7dba-6
0.344
MAR-TRE-36bf7dba-80
0.343
MAR-TRE-36bf7dba-7
0.338
MAR-TRE-36bf7dba-19
0.338
MAR-TRE-36bf7dba-98
0.338
MAR-TRE-36bf7dba-11
0.338
MAR-TRE-36bf7dba-66
0.338
MAR-TRE-36bf7dba-21
0.337
MAR-TRE-36bf7dba-86
0.333
MAR-TRE-36bf7dba-49
0.333
MAR-TRE-36bf7dba-55
0.333
MAR-TRE-36bf7dba-75
0.333
MAR-TRE-36bf7dba-29
0.333
MAR-TRE-36bf7dba-50
0.329
MAR-TRE-36bf7dba-70
0.328
MAR-TRE-36bf7dba-85
0.325
MAR-TRE-36bf7dba-39
0.325
MAR-TRE-36bf7dba-88
0.325
MAR-TRE-36bf7dba-100
0.319
MAR-TRE-36bf7dba-79
0.319
MAR-TRE-36bf7dba-20
0.319
MAR-TRE-36bf7dba-73
0.318
MAR-TRE-36bf7dba-65
0.316
MAR-TRE-36bf7dba-33
0.314
MAR-TRE-36bf7dba-8
0.314
MAR-TRE-36bf7dba-2
0.313
MAR-TRE-36bf7dba-38
0.312
MAR-TRE-36bf7dba-59
0.311
MAR-TRE-36bf7dba-10
0.308
MAR-TRE-36bf7dba-92
0.305
MAR-TRE-36bf7dba-5
0.304
MAR-TRE-36bf7dba-58
0.304
MAR-TRE-36bf7dba-96
0.303
MAR-TRE-36bf7dba-57
0.303
MAR-TRE-36bf7dba-72
0.303
MAR-TRE-36bf7dba-3
0.300
MAR-TRE-36bf7dba-15
0.299
MAR-TRE-36bf7dba-45
0.299
MAR-TRE-aca67d11-100
0.299
MAR-TRE-36bf7dba-25
0.289
MAR-TRE-36bf7dba-83
0.289
MAR-TRE-36bf7dba-46
0.289
MAR-TRE-36bf7dba-61
0.286
MAR-TRE-36bf7dba-17
0.283
MAR-TRE-36bf7dba-77
0.283
MAR-TRE-36bf7dba-24
0.281
MAR-TRE-36bf7dba-13
0.280
MAR-TRE-36bf7dba-18
0.275
MAR-TRE-8a25d817-41
0.273