Molecular Properties | |
SMILES: | OCCCCC(O)COc1csc(CCl)n1 |
MW: | 265.05 |
Fraction sp3: | 0.7 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 62.58 |
cLogP: | 1.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Filter6_benzyl_halide
Long aliphatic chain
Alkyl Halide
MAR-TRE-36bf7dba-86
0.508
MAR-TRE-36bf7dba-60
0.477
MAR-TRE-36bf7dba-81
0.468
MAR-TRE-36bf7dba-7
0.467
MAR-TRE-36bf7dba-33
0.453
MAR-TRE-36bf7dba-12
0.453
MAR-TRE-36bf7dba-94
0.443
MAR-TRE-36bf7dba-39
0.431
MAR-TRE-36bf7dba-70
0.429
MAR-TRE-36bf7dba-20
0.415
MAR-TRE-36bf7dba-100
0.412
MAR-TRE-36bf7dba-85
0.411
MAR-TRE-36bf7dba-8
0.409
MAR-TRE-36bf7dba-6
0.403
MAR-TRE-36bf7dba-45
0.403
MAR-TRE-36bf7dba-80
0.397
MAR-TRE-36bf7dba-19
0.391
MAR-TRE-36bf7dba-2
0.391
MAR-TRE-36bf7dba-5
0.379
MAR-TRE-36bf7dba-38
0.377
MAR-TRE-36bf7dba-3
0.373
MAR-TRE-36bf7dba-96
0.370
MAR-TRE-36bf7dba-83
0.356
MAR-TRE-36bf7dba-10
0.355
MAR-TRE-36bf7dba-11
0.351
MAR-TRE-36bf7dba-62
0.343
MAR-TRE-36bf7dba-14
0.342
MAR-TRE-36bf7dba-59
0.342
MAR-TRE-36bf7dba-99
0.338
MAR-TRE-36bf7dba-48
0.338
MAR-TRE-36bf7dba-25
0.338
MAR-TRE-36bf7dba-67
0.333
MAR-TRE-36bf7dba-15
0.329
MAR-TRE-36bf7dba-23
0.329
MAR-TRE-36bf7dba-49
0.328
MAR-TRE-36bf7dba-90
0.319
MAR-TRE-36bf7dba-91
0.319
MAR-TRE-36bf7dba-58
0.316
MAR-TRE-36bf7dba-72
0.316
MAR-TRE-36bf7dba-1
0.315
MAR-TRE-36bf7dba-34
0.315
MAR-TRE-36bf7dba-69
0.314
MAR-TRE-36bf7dba-53
0.306
MAR-TRE-36bf7dba-4
0.306
MAR-TRE-36bf7dba-37
0.303
MAR-TRE-36bf7dba-95
0.303
MAR-TRE-36bf7dba-36
0.301
MAR-TRE-36bf7dba-46
0.301
MAR-TRE-36bf7dba-43
0.300
MAR-TRE-36bf7dba-93
0.299
MAR-TRE-36bf7dba-56
0.299
MAR-TRE-36bf7dba-87
0.297
MAR-TRE-36bf7dba-41
0.297
MAR-TRE-36bf7dba-79
0.296
MAR-TRE-36bf7dba-97
0.296
MAR-TRE-36bf7dba-9
0.296
MAR-TRE-36bf7dba-55
0.295
MAR-TRE-36bf7dba-30
0.293
MAR-TRE-36bf7dba-28
0.293
MAR-TRE-36bf7dba-22
0.293
MAR-TRE-36bf7dba-47
0.291
MAR-TRE-36bf7dba-76
0.291
MAR-TRE-36bf7dba-31
0.288
MAR-TRE-36bf7dba-89
0.288
MAR-TRE-36bf7dba-35
0.287
MAR-TRE-36bf7dba-78
0.284
MAR-TRE-36bf7dba-51
0.284
MAR-TRE-36bf7dba-61
0.283
MAR-TRE-36bf7dba-57
0.282
MAR-TRE-36bf7dba-64
0.282
MAR-TRE-36bf7dba-29
0.278
MAR-TRE-36bf7dba-24
0.278
MAR-TRE-36bf7dba-68
0.275
MAR-TRE-36bf7dba-18
0.272
MAR-TRE-36bf7dba-88
0.272
MAR-TRE-36bf7dba-71
0.272
MAR-TRE-36bf7dba-40
0.269
MAR-TRE-36bf7dba-17
0.266
MAR-TRE-36bf7dba-77
0.266
MAR-TRE-36bf7dba-98
0.266
MAR-TRE-36bf7dba-74
0.266
MAR-TRE-36bf7dba-63
0.265
MAR-TRE-36bf7dba-65
0.265
MAR-TRE-36bf7dba-52
0.265
MAR-TRE-36bf7dba-13
0.263
MAR-TRE-36bf7dba-84
0.263
MAR-TRE-36bf7dba-42
0.259
MAR-TRE-36bf7dba-44
0.256
MAR-TRE-36bf7dba-54
0.256
MAR-TRE-36bf7dba-92
0.256
MAR-TRE-36bf7dba-16
0.250
MAR-TRE-36bf7dba-82
0.250
MAR-TRE-36bf7dba-73
0.245
MAR-TRE-36bf7dba-66
0.241
MAR-TRE-36bf7dba-75
0.239
MAR-TRE-36bf7dba-32
0.238
MAR-TRE-36bf7dba-26
0.224
MAR-TRE-36bf7dba-27
0.218
MAR-TRE-36bf7dba-21
0.216
KEI-TRE-fa9ada3e-3
0.209