Molecular Properties | |
SMILES: | O=C(O)CCSCCC(=O)Oc1csc(CCl)n1 |
MW: | 308.99 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 76.49 |
cLogP: | 2.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Long aliphatic chain
Alkyl Halide
MAR-TRE-36bf7dba-22
0.571
MAR-TRE-36bf7dba-9
0.567
MAR-TRE-36bf7dba-99
0.550
MAR-TRE-36bf7dba-53
0.548
MAR-TRE-36bf7dba-97
0.541
MAR-TRE-36bf7dba-43
0.525
MAR-TRE-36bf7dba-91
0.525
MAR-TRE-36bf7dba-31
0.524
MAR-TRE-36bf7dba-51
0.516
MAR-TRE-36bf7dba-41
0.508
MAR-TRE-36bf7dba-95
0.507
MAR-TRE-36bf7dba-4
0.500
MAR-TRE-36bf7dba-89
0.500
MAR-TRE-36bf7dba-76
0.486
MAR-TRE-36bf7dba-1
0.485
MAR-TRE-36bf7dba-28
0.456
MAR-TRE-36bf7dba-40
0.443
MAR-TRE-36bf7dba-23
0.439
MAR-TRE-36bf7dba-90
0.431
MAR-TRE-36bf7dba-66
0.429
MAR-TRE-36bf7dba-67
0.420
MAR-TRE-36bf7dba-44
0.419
MAR-TRE-36bf7dba-74
0.417
MAR-TRE-36bf7dba-64
0.417
MAR-TRE-36bf7dba-84
0.411
MAR-TRE-36bf7dba-52
0.408
MAR-TRE-36bf7dba-69
0.403
MAR-TRE-36bf7dba-37
0.403
MAR-TRE-36bf7dba-54
0.400
MAR-TRE-36bf7dba-73
0.400
MAR-TRE-36bf7dba-30
0.394
MAR-TRE-36bf7dba-14
0.389
MAR-TRE-36bf7dba-75
0.388
MAR-TRE-36bf7dba-68
0.387
MAR-TRE-36bf7dba-36
0.386
MAR-TRE-36bf7dba-82
0.383
MAR-TRE-36bf7dba-42
0.380
MAR-TRE-36bf7dba-33
0.377
MAR-TRE-36bf7dba-70
0.373
MAR-TRE-36bf7dba-63
0.372
MAR-TRE-36bf7dba-34
0.361
MAR-TRE-36bf7dba-56
0.360
MAR-TRE-36bf7dba-8
0.357
MAR-TRE-36bf7dba-47
0.351
MAR-TRE-36bf7dba-48
0.348
MAR-TRE-36bf7dba-78
0.342
MAR-TRE-36bf7dba-11
0.342
MAR-TRE-36bf7dba-80
0.329
MAR-TRE-36bf7dba-81
0.329
MAR-TRE-36bf7dba-12
0.319
MAR-TRE-36bf7dba-86
0.319
MAR-TRE-36bf7dba-35
0.312
MAR-TRE-36bf7dba-71
0.312
MAR-TRE-36bf7dba-93
0.308
MAR-TRE-36bf7dba-98
0.308
MAR-TRE-36bf7dba-19
0.307
MAR-TRE-36bf7dba-60
0.307
MAR-TRE-36bf7dba-20
0.306
MAR-TRE-36bf7dba-7
0.304
MAR-TRE-36bf7dba-29
0.304
MAR-TRE-36bf7dba-2
0.300
MAR-TRE-36bf7dba-49
0.300
MAR-TRE-36bf7dba-26
0.298
MAR-TRE-36bf7dba-50
0.297
MAR-TRE-36bf7dba-62
0.297
MAR-TRE-36bf7dba-88
0.296
MAR-TRE-36bf7dba-39
0.296
MAR-TRE-36bf7dba-25
0.295
MAR-TRE-36bf7dba-6
0.290
MAR-TRE-36bf7dba-65
0.289
MAR-TRE-36bf7dba-27
0.289
MAR-TRE-36bf7dba-79
0.288
MAR-TRE-36bf7dba-94
0.287
MAR-TRE-36bf7dba-55
0.287
MAR-TRE-36bf7dba-45
0.287
MAR-TRE-36bf7dba-21
0.286
MAR-TRE-36bf7dba-59
0.282
MAR-TRE-36bf7dba-10
0.280
MAR-TRE-36bf7dba-85
0.280
MAR-TRE-aca67d11-26
0.280
MAR-TRE-36bf7dba-58
0.277
MAR-TRE-36bf7dba-57
0.275
MAR-TRE-36bf7dba-72
0.275
MAR-TRE-36bf7dba-96
0.275
MAR-TRE-36bf7dba-5
0.274
MAR-TRE-36bf7dba-100
0.273
MAR-TRE-36bf7dba-15
0.272
MAR-TRE-36bf7dba-3
0.270
MAR-TRE-36bf7dba-92
0.264
MAR-TRE-36bf7dba-46
0.264
MAR-TRE-36bf7dba-83
0.263
MAR-TRE-36bf7dba-38
0.256
MAR-TRE-aca67d11-40
0.250
MAR-TRE-aca67d11-59
0.250
MAR-TRE-36bf7dba-32
0.247
MAR-TRE-aca67d11-72
0.246
MAR-TRE-36bf7dba-61
0.237
MAR-TRE-36bf7dba-17
0.235
MAR-TRE-36bf7dba-77
0.235
MAR-TRE-aca67d11-100
0.233