Molecular Properties | |
SMILES: | NCC(=O)NC(CCC(=O)Oc1csc(CCl)n1)C(=O)O |
MW: | 335.03 |
Fraction sp3: | 0.45 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 131.61 |
cLogP: | 0.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Long aliphatic chain
Alkyl Halide
MAR-TRE-36bf7dba-51
0.515
MAR-TRE-36bf7dba-22
0.500
MAR-TRE-36bf7dba-87
0.486
MAR-TRE-36bf7dba-53
0.478
MAR-TRE-36bf7dba-91
0.478
MAR-TRE-36bf7dba-99
0.478
MAR-TRE-36bf7dba-9
0.471
MAR-TRE-36bf7dba-97
0.471
MAR-TRE-36bf7dba-95
0.466
MAR-TRE-36bf7dba-31
0.457
MAR-TRE-36bf7dba-43
0.456
MAR-TRE-36bf7dba-90
0.456
MAR-TRE-36bf7dba-14
0.452
MAR-TRE-36bf7dba-37
0.446
MAR-TRE-36bf7dba-41
0.444
MAR-TRE-36bf7dba-67
0.444
MAR-TRE-36bf7dba-23
0.443
MAR-TRE-36bf7dba-56
0.440
MAR-TRE-36bf7dba-28
0.438
MAR-TRE-36bf7dba-30
0.438
MAR-TRE-36bf7dba-89
0.437
MAR-TRE-aca67d11-66
0.432
MAR-TRE-36bf7dba-36
0.431
MAR-TRE-36bf7dba-40
0.427
MAR-TRE-36bf7dba-1
0.425
MAR-TRE-36bf7dba-64
0.421
MAR-TRE-36bf7dba-66
0.415
MAR-TRE-36bf7dba-69
0.408
MAR-TRE-36bf7dba-34
0.405
MAR-TRE-36bf7dba-74
0.403
MAR-TRE-36bf7dba-84
0.397
MAR-TRE-36bf7dba-4
0.397
MAR-TRE-36bf7dba-68
0.392
MAR-TRE-36bf7dba-82
0.388
MAR-TRE-36bf7dba-44
0.388
MAR-TRE-36bf7dba-54
0.388
MAR-TRE-36bf7dba-42
0.386
MAR-TRE-36bf7dba-78
0.383
MAR-TRE-36bf7dba-52
0.378
MAR-TRE-36bf7dba-47
0.375
MAR-TRE-36bf7dba-29
0.362
MAR-TRE-36bf7dba-75
0.360
MAR-TRE-36bf7dba-73
0.359
MAR-TRE-36bf7dba-81
0.356
MAR-TRE-36bf7dba-48
0.356
MAR-TRE-36bf7dba-35
0.354
MAR-TRE-36bf7dba-27
0.351
MAR-TRE-36bf7dba-71
0.337
MAR-TRE-36bf7dba-88
0.337
MAR-TRE-36bf7dba-26
0.333
MAR-TRE-36bf7dba-93
0.333
MAR-TRE-aca67d11-36
0.329
MAR-TRE-36bf7dba-63
0.329
MAR-TRE-36bf7dba-12
0.329
MAR-TRE-36bf7dba-62
0.325
MAR-TRE-36bf7dba-21
0.320
MAR-TRE-36bf7dba-11
0.318
MAR-TRE-36bf7dba-98
0.317
MAR-TRE-36bf7dba-65
0.314
MAR-TRE-36bf7dba-59
0.309
MAR-TRE-36bf7dba-80
0.304
MAR-TRE-36bf7dba-92
0.303
MAR-TRE-36bf7dba-6
0.301
MAR-TRE-36bf7dba-60
0.300
MAR-TRE-36bf7dba-19
0.300
MAR-TRE-36bf7dba-20
0.299
MAR-TRE-36bf7dba-94
0.298
MAR-TRE-36bf7dba-49
0.293
MAR-TRE-36bf7dba-50
0.291
MAR-TRE-aca67d11-97
0.291
MAR-TRE-36bf7dba-85
0.291
MAR-TRE-36bf7dba-39
0.291
MAR-TRE-e86a56b5-62
0.288
MAR-TRE-87acfbcc-67
0.287
MAR-TRE-36bf7dba-57
0.286
MAR-TRE-423310b6-56
0.284
MAR-TRE-36bf7dba-55
0.282
MAR-TRE-36bf7dba-15
0.282
MAR-TRE-36bf7dba-79
0.282
MAR-TRE-4f39ef4a-6
0.280
MAR-TRE-36bf7dba-7
0.280
MAR-TRE-36bf7dba-86
0.276
MAR-TRE-36bf7dba-46
0.275
MAR-TRE-36bf7dba-25
0.274
MAR-TRE-36bf7dba-58
0.273
MAR-TRE-36bf7dba-70
0.273
MAR-TRE-36bf7dba-72
0.271
MAR-TRE-36bf7dba-96
0.271
MAR-TRE-aca67d11-95
0.269
MAR-TRE-36bf7dba-38
0.267
MAR-TRE-36bf7dba-8
0.263
MAR-TRE-36bf7dba-33
0.263
MAR-TRE-36bf7dba-10
0.261
MAR-TRE-36bf7dba-2
0.260
MAR-TRE-423310b6-39
0.259
MAR-TRE-36bf7dba-83
0.259
MAR-TRE-36bf7dba-77
0.257
SHA-THE-408e7524-3
0.257
MAR-TRE-36bf7dba-5
0.253
MAR-TRE-e82e6c98-72
0.253