Molecular Properties | |
SMILES: | CC(N)C(=O)NC(C)C(=O)Oc1csc(CCl)n1 |
MW: | 291.04 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 94.31 |
cLogP: | 0.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Long aliphatic chain
Alkyl Halide
MAR-TRE-36bf7dba-56
0.629
MAR-TRE-36bf7dba-90
0.559
MAR-TRE-36bf7dba-67
0.492
MAR-TRE-36bf7dba-23
0.492
MAR-TRE-36bf7dba-68
0.471
MAR-TRE-36bf7dba-1
0.470
MAR-TRE-36bf7dba-30
0.463
MAR-TRE-36bf7dba-14
0.456
MAR-TRE-36bf7dba-47
0.451
MAR-TRE-36bf7dba-37
0.449
MAR-TRE-36bf7dba-22
0.441
MAR-TRE-36bf7dba-31
0.439
MAR-TRE-36bf7dba-91
0.438
MAR-TRE-36bf7dba-51
0.433
MAR-TRE-36bf7dba-9
0.431
MAR-TRE-36bf7dba-97
0.431
MAR-TRE-36bf7dba-76
0.431
MAR-TRE-36bf7dba-26
0.424
MAR-TRE-36bf7dba-89
0.418
MAR-TRE-36bf7dba-53
0.418
MAR-TRE-36bf7dba-4
0.418
MAR-TRE-36bf7dba-48
0.415
MAR-TRE-36bf7dba-99
0.415
MAR-TRE-36bf7dba-43
0.415
MAR-TRE-36bf7dba-69
0.409
MAR-TRE-36bf7dba-27
0.409
MAR-TRE-36bf7dba-95
0.408
MAR-TRE-36bf7dba-41
0.406
MAR-TRE-36bf7dba-21
0.404
MAR-TRE-36bf7dba-28
0.400
MAR-TRE-36bf7dba-40
0.389
MAR-TRE-36bf7dba-44
0.387
MAR-TRE-36bf7dba-54
0.387
MAR-TRE-36bf7dba-39
0.387
MAR-TRE-36bf7dba-87
0.386
MAR-TRE-36bf7dba-93
0.384
MAR-TRE-36bf7dba-64
0.384
MAR-TRE-36bf7dba-11
0.382
MAR-TRE-36bf7dba-52
0.377
MAR-TRE-36bf7dba-34
0.366
MAR-TRE-36bf7dba-74
0.365
MAR-TRE-36bf7dba-78
0.364
MAR-TRE-36bf7dba-12
0.362
MAR-TRE-36bf7dba-84
0.360
MAR-TRE-36bf7dba-63
0.359
MAR-TRE-36bf7dba-62
0.357
MAR-TRE-36bf7dba-81
0.353
MAR-TRE-36bf7dba-35
0.351
MAR-TRE-36bf7dba-79
0.348
MAR-TRE-36bf7dba-19
0.347
MAR-TRE-36bf7dba-57
0.347
MAR-TRE-36bf7dba-65
0.342
MAR-TRE-36bf7dba-59
0.338
MAR-TRE-36bf7dba-82
0.337
MAR-TRE-36bf7dba-71
0.333
MAR-TRE-36bf7dba-42
0.333
MAR-TRE-36bf7dba-88
0.333
MAR-TRE-36bf7dba-66
0.329
MAR-TRE-36bf7dba-60
0.329
MAR-TRE-36bf7dba-20
0.329
MAR-TRE-36bf7dba-75
0.325
MAR-TRE-36bf7dba-29
0.325
MAR-TRE-36bf7dba-80
0.315
MAR-TRE-36bf7dba-6
0.313
MAR-TRE-36bf7dba-92
0.313
MAR-TRE-36bf7dba-58
0.312
MAR-TRE-36bf7dba-72
0.312
MAR-TRE-36bf7dba-96
0.312
MAR-TRE-36bf7dba-73
0.311
MAR-TRE-36bf7dba-3
0.310
MAR-TRE-36bf7dba-7
0.309
MAR-TRE-36bf7dba-94
0.308
MAR-TRE-36bf7dba-55
0.308
MAR-TRE-36bf7dba-33
0.306
MAR-TRE-36bf7dba-38
0.305
MAR-TRE-36bf7dba-49
0.304
MAR-TRE-36bf7dba-2
0.304
MAR-TRE-36bf7dba-86
0.304
MAR-TRE-36bf7dba-50
0.301
MAR-TRE-36bf7dba-70
0.300
MAR-TRE-36bf7dba-85
0.300
MAR-TRE-36bf7dba-25
0.299
MAR-TRE-36bf7dba-46
0.298
MAR-TRE-36bf7dba-5
0.296
MAR-TRE-36bf7dba-98
0.295
MAR-TRE-36bf7dba-100
0.293
MAR-TRE-36bf7dba-15
0.291
MAR-TRE-36bf7dba-8
0.288
MAR-TRE-36bf7dba-10
0.284
MAR-TRE-36bf7dba-83
0.282
MAR-TRE-36bf7dba-32
0.280
MAR-TRE-36bf7dba-45
0.275
MAR-TRE-aca67d11-43
0.269
MAR-TRE-36bf7dba-77
0.263
MAR-TRE-36bf7dba-17
0.263
MAR-TRE-36bf7dba-24
0.261
MAR-TRE-36bf7dba-13
0.260
MAR-TRE-36bf7dba-16
0.247
MAR-TRE-a78003aa-34
0.247
SHA-THE-408e7524-3
0.246