Molecular Properties | |
SMILES: | CC1(C)OCC(C(Oc2csc(CCl)n2)C(=O)O)O1 |
MW: | 307.03 |
Fraction sp3: | 0.64 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 77.88 |
cLogP: | 1.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-36bf7dba-48
0.429
MAR-TRE-36bf7dba-69
0.423
MAR-TRE-36bf7dba-58
0.412
MAR-TRE-36bf7dba-34
0.400
MAR-TRE-36bf7dba-98
0.397
MAR-TRE-36bf7dba-90
0.389
MAR-TRE-36bf7dba-35
0.383
MAR-TRE-36bf7dba-23
0.378
MAR-TRE-36bf7dba-67
0.364
MAR-TRE-36bf7dba-1
0.364
MAR-TRE-36bf7dba-78
0.361
MAR-TRE-36bf7dba-22
0.359
MAR-TRE-36bf7dba-29
0.358
MAR-TRE-36bf7dba-89
0.355
MAR-TRE-36bf7dba-43
0.351
MAR-TRE-36bf7dba-97
0.347
MAR-TRE-36bf7dba-79
0.347
MAR-TRE-36bf7dba-30
0.342
MAR-TRE-36bf7dba-55
0.341
MAR-TRE-36bf7dba-62
0.338
MAR-TRE-36bf7dba-59
0.338
MAR-TRE-36bf7dba-68
0.337
MAR-TRE-36bf7dba-76
0.337
MAR-TRE-36bf7dba-37
0.333
MAR-TRE-36bf7dba-51
0.333
MAR-TRE-36bf7dba-88
0.333
MAR-TRE-36bf7dba-36
0.333
MAR-TRE-36bf7dba-91
0.333
MAR-TRE-36bf7dba-99
0.333
MAR-TRE-36bf7dba-92
0.330
MAR-TRE-36bf7dba-57
0.329
MAR-TRE-36bf7dba-93
0.329
MAR-TRE-36bf7dba-41
0.329
MAR-TRE-36bf7dba-9
0.329
MAR-TRE-36bf7dba-63
0.326
MAR-TRE-36bf7dba-65
0.326
MAR-TRE-36bf7dba-47
0.321
MAR-TRE-36bf7dba-14
0.321
MAR-TRE-36bf7dba-4
0.321
MAR-TRE-36bf7dba-31
0.321
MAR-TRE-36bf7dba-53
0.321
MAR-TRE-36bf7dba-85
0.318
MAR-TRE-36bf7dba-81
0.316
MAR-TRE-36bf7dba-64
0.313
MAR-TRE-36bf7dba-56
0.313
MAR-TRE-36bf7dba-87
0.312
MAR-TRE-36bf7dba-12
0.308
MAR-TRE-36bf7dba-49
0.307
MAR-TRE-36bf7dba-44
0.302
MAR-TRE-36bf7dba-95
0.301
MAR-TRE-36bf7dba-11
0.299
MAR-TRE-36bf7dba-19
0.296
MAR-TRE-36bf7dba-60
0.296
MAR-TRE-36bf7dba-28
0.293
MAR-TRE-36bf7dba-42
0.289
MAR-TRE-36bf7dba-39
0.287
MAR-TRE-36bf7dba-54
0.287
MAR-TRE-36bf7dba-40
0.286
MAR-TRE-36bf7dba-83
0.286
MAR-TRE-36bf7dba-73
0.286
MAR-TRE-36bf7dba-74
0.282
MAR-TRE-36bf7dba-52
0.281
MAR-TRE-36bf7dba-84
0.279
MAR-TRE-36bf7dba-38
0.278
MAR-TRE-36bf7dba-7
0.276
MAR-TRE-36bf7dba-86
0.273
MAR-TRE-36bf7dba-2
0.273
MAR-TRE-36bf7dba-50
0.272
MAR-TRE-36bf7dba-32
0.270
MAR-TRE-36bf7dba-70
0.269
MAR-TRE-36bf7dba-80
0.268
MAR-TRE-36bf7dba-77
0.267
MAR-TRE-36bf7dba-82
0.266
MAR-TRE-36bf7dba-5
0.266
MAR-TRE-36bf7dba-24
0.265
MAR-TRE-36bf7dba-26
0.265
MAR-TRE-36bf7dba-13
0.265
MAR-TRE-36bf7dba-94
0.264
MAR-TRE-36bf7dba-6
0.263
MAR-TRE-36bf7dba-3
0.263
MAR-TRE-36bf7dba-20
0.263
MAR-TRE-36bf7dba-33
0.259
MAR-TRE-36bf7dba-8
0.259
MAR-TRE-36bf7dba-10
0.258
MAR-TRE-36bf7dba-66
0.258
MAR-TRE-36bf7dba-27
0.257
MAR-TRE-36bf7dba-75
0.255
MAR-TRE-36bf7dba-21
0.255
MAR-TRE-36bf7dba-72
0.253
MAR-TRE-36bf7dba-96
0.253
MAR-TRE-36bf7dba-16
0.252
MAR-TRE-36bf7dba-45
0.250
MAR-TRE-36bf7dba-15
0.250
MAR-TRE-36bf7dba-100
0.250
MAR-TRE-36bf7dba-18
0.248
MAR-TRE-36bf7dba-61
0.245
MAR-TRE-36bf7dba-46
0.245
MAR-TRE-36bf7dba-25
0.241
MAR-TRE-a78003aa-27
0.225
MAR-TRE-a78003aa-2
0.225