Molecular Properties | |
SMILES: | CNC(C)C(Oc1csc(CCl)n1)c1ccc(O)cc1 |
MW: | 312.07 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 54.38 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-36bf7dba-93
0.514
MAR-TRE-36bf7dba-88
0.453
MAR-TRE-36bf7dba-78
0.447
MAR-TRE-36bf7dba-65
0.442
MAR-TRE-36bf7dba-92
0.425
MAR-TRE-36bf7dba-79
0.420
MAR-TRE-36bf7dba-59
0.405
MAR-TRE-36bf7dba-48
0.386
MAR-TRE-36bf7dba-62
0.370
MAR-TRE-36bf7dba-37
0.364
MAR-TRE-36bf7dba-69
0.361
MAR-TRE-36bf7dba-55
0.354
MAR-TRE-36bf7dba-89
0.351
MAR-TRE-36bf7dba-90
0.347
MAR-TRE-36bf7dba-36
0.347
MAR-TRE-36bf7dba-34
0.342
MAR-TRE-36bf7dba-56
0.342
MAR-TRE-36bf7dba-84
0.338
MAR-TRE-36bf7dba-35
0.329
MAR-TRE-36bf7dba-71
0.329
MAR-TRE-36bf7dba-51
0.329
MAR-TRE-36bf7dba-91
0.329
MAR-TRE-36bf7dba-58
0.325
MAR-TRE-36bf7dba-74
0.325
MAR-TRE-36bf7dba-67
0.325
MAR-TRE-36bf7dba-9
0.324
MAR-TRE-36bf7dba-52
0.321
MAR-TRE-36bf7dba-30
0.321
MAR-TRE-36bf7dba-53
0.316
MAR-TRE-36bf7dba-43
0.311
MAR-TRE-36bf7dba-46
0.310
MAR-TRE-36bf7dba-60
0.308
MAR-TRE-36bf7dba-75
0.307
MAR-TRE-36bf7dba-97
0.307
MAR-TRE-36bf7dba-63
0.306
MAR-TRE-36bf7dba-94
0.305
MAR-TRE-36bf7dba-22
0.304
MAR-TRE-36bf7dba-12
0.303
MAR-TRE-36bf7dba-23
0.303
MAR-TRE-36bf7dba-47
0.301
MAR-TRE-36bf7dba-14
0.300
MAR-TRE-36bf7dba-31
0.299
MAR-TRE-36bf7dba-44
0.298
MAR-TRE-36bf7dba-54
0.298
MAR-TRE-36bf7dba-83
0.296
MAR-TRE-36bf7dba-40
0.296
MAR-TRE-36bf7dba-95
0.296
MAR-TRE-36bf7dba-99
0.293
MAR-TRE-36bf7dba-81
0.293
MAR-TRE-36bf7dba-6
0.292
MAR-TRE-36bf7dba-41
0.291
MAR-TRE-36bf7dba-1
0.291
MAR-TRE-36bf7dba-20
0.289
MAR-TRE-36bf7dba-15
0.289
MAR-TRE-36bf7dba-7
0.288
MAR-TRE-36bf7dba-28
0.287
MAR-TRE-36bf7dba-8
0.286
MAR-TRE-36bf7dba-68
0.286
MAR-TRE-36bf7dba-76
0.286
MAR-TRE-36bf7dba-49
0.284
MAR-TRE-36bf7dba-2
0.284
MAR-TRE-36bf7dba-86
0.284
MAR-TRE-36bf7dba-39
0.282
MAR-TRE-36bf7dba-4
0.282
MAR-TRE-36bf7dba-50
0.282
MAR-TRE-36bf7dba-70
0.280
MAR-TRE-36bf7dba-11
0.279
MAR-TRE-87acfbcc-72
0.278
MAR-TRE-36bf7dba-96
0.277
MAR-TRE-36bf7dba-98
0.277
MAR-TRE-36bf7dba-5
0.276
MAR-TRE-36bf7dba-87
0.275
MAR-TRE-36bf7dba-19
0.275
MAR-TRE-36bf7dba-38
0.273
MAR-TRE-36bf7dba-3
0.273
MAR-TRE-36bf7dba-26
0.273
MAR-TRE-36bf7dba-42
0.270
MAR-TRE-36bf7dba-33
0.269
MAR-TRE-36bf7dba-10
0.267
MAR-TRE-36bf7dba-66
0.267
MAR-TRE-36bf7dba-27
0.265
MAR-TRE-36bf7dba-80
0.263
MAR-TRE-36bf7dba-21
0.262
MAR-TRE-36bf7dba-64
0.262
MAR-TRE-36bf7dba-72
0.262
MAR-TRE-36bf7dba-82
0.261
MAR-TRE-36bf7dba-100
0.259
MAR-TRE-36bf7dba-29
0.259
MAR-TRE-36bf7dba-85
0.253
MAR-TRE-36bf7dba-25
0.250
MAR-TRE-36bf7dba-77
0.250
MAR-TRE-36bf7dba-13
0.248
MAR-TRE-36bf7dba-24
0.247
MAR-TRE-36bf7dba-45
0.244
MAR-TRE-36bf7dba-18
0.242
MAR-TRE-36bf7dba-61
0.240
MAR-TRE-36bf7dba-17
0.238
MAR-TRE-85681e92-39
0.237
MAR-TRE-36bf7dba-16
0.235
MAR-TRE-36bf7dba-32
0.222