Molecular Properties | |
SMILES: | OCC(COc1csc(CCl)n1)OCc1ccccc1 |
MW: | 313.05 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 51.58 |
cLogP: | 2.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-36bf7dba-50
0.443
MAR-TRE-36bf7dba-60
0.411
MAR-TRE-36bf7dba-81
0.400
MAR-TRE-36bf7dba-12
0.389
MAR-TRE-36bf7dba-7
0.377
MAR-TRE-36bf7dba-86
0.371
MAR-TRE-36bf7dba-23
0.370
MAR-TRE-36bf7dba-30
0.368
MAR-TRE-36bf7dba-70
0.366
MAR-TRE-36bf7dba-39
0.358
MAR-TRE-36bf7dba-85
0.358
MAR-TRE-36bf7dba-20
0.356
MAR-TRE-36bf7dba-11
0.354
MAR-TRE-36bf7dba-8
0.351
MAR-TRE-36bf7dba-33
0.351
MAR-TRE-36bf7dba-6
0.343
MAR-TRE-36bf7dba-80
0.342
MAR-TRE-36bf7dba-37
0.342
MAR-TRE-36bf7dba-25
0.342
MAR-TRE-36bf7dba-83
0.342
MAR-TRE-36bf7dba-100
0.338
MAR-TRE-36bf7dba-19
0.338
MAR-TRE-36bf7dba-74
0.338
MAR-TRE-36bf7dba-2
0.333
MAR-TRE-36bf7dba-22
0.333
MAR-TRE-36bf7dba-43
0.324
MAR-TRE-36bf7dba-48
0.324
MAR-TRE-36bf7dba-5
0.324
MAR-TRE-36bf7dba-90
0.324
MAR-TRE-36bf7dba-91
0.324
MAR-TRE-36bf7dba-46
0.322
MAR-TRE-36bf7dba-72
0.321
MAR-TRE-36bf7dba-96
0.321
MAR-TRE-36bf7dba-34
0.321
MAR-TRE-36bf7dba-41
0.321
MAR-TRE-36bf7dba-1
0.321
MAR-TRE-36bf7dba-3
0.320
MAR-TRE-36bf7dba-9
0.320
MAR-TRE-36bf7dba-15
0.317
MAR-TRE-36bf7dba-45
0.317
MAR-TRE-36bf7dba-28
0.316
MAR-TRE-36bf7dba-14
0.312
MAR-TRE-36bf7dba-53
0.312
MAR-TRE-36bf7dba-62
0.312
MAR-TRE-36bf7dba-35
0.310
MAR-TRE-36bf7dba-54
0.310
MAR-TRE-36bf7dba-36
0.308
MAR-TRE-36bf7dba-99
0.307
MAR-TRE-36bf7dba-57
0.305
MAR-TRE-36bf7dba-67
0.304
MAR-TRE-36bf7dba-69
0.303
MAR-TRE-36bf7dba-97
0.303
MAR-TRE-36bf7dba-79
0.303
MAR-TRE-36bf7dba-63
0.302
MAR-TRE-36bf7dba-38
0.299
MAR-TRE-36bf7dba-76
0.298
MAR-TRE-36bf7dba-49
0.297
MAR-TRE-36bf7dba-59
0.296
MAR-TRE-36bf7dba-89
0.295
MAR-TRE-36bf7dba-31
0.295
MAR-TRE-36bf7dba-4
0.295
MAR-TRE-36bf7dba-10
0.294
LAU-FAC-e2c8b4ad-1
0.294
MAR-TRE-36bf7dba-40
0.293
MAR-TRE-36bf7dba-58
0.291
MAR-TRE-36bf7dba-78
0.291
MAR-TRE-36bf7dba-56
0.289
MAR-TRE-36bf7dba-93
0.289
MAR-TRE-36bf7dba-87
0.287
MAR-TRE-36bf7dba-55
0.286
MAR-TRE-36bf7dba-84
0.286
MAR-TRE-36bf7dba-47
0.282
MAR-TRE-36bf7dba-68
0.282
MAR-TRE-36bf7dba-88
0.279
MAR-TRE-36bf7dba-44
0.279
MAR-TRE-36bf7dba-66
0.278
MAR-TRE-36bf7dba-95
0.277
MAR-TRE-36bf7dba-51
0.275
MAR-TRE-36bf7dba-52
0.273
MAR-TRE-36bf7dba-65
0.273
MAR-TRE-36bf7dba-21
0.272
MAR-TRE-36bf7dba-82
0.272
MAK-UNK-f983951f-13
0.271
MAR-TRE-36bf7dba-42
0.267
MAR-TRE-8a25d817-83
0.265
MAR-TRE-36bf7dba-71
0.264
MAR-TRE-36bf7dba-92
0.264
MAR-TRE-36bf7dba-61
0.263
MAR-TRE-36bf7dba-75
0.261
MAR-TRE-36bf7dba-17
0.260
MAR-TRE-36bf7dba-77
0.260
MAR-TRE-36bf7dba-64
0.259
MAR-TRE-36bf7dba-98
0.259
MAR-TRE-36bf7dba-24
0.258
MAR-TRE-36bf7dba-26
0.257
MAR-TRE-36bf7dba-29
0.256
MAR-TRE-36bf7dba-18
0.253
MAR-TRE-36bf7dba-27
0.250
MAR-TRE-8a25d817-31
0.247
MAR-TRE-36bf7dba-16
0.245