Molecular Properties | |
SMILES: | CNCC(Oc1csc(CCl)n1)C(O)C(O)C(O)CO |
MW: | 326.07 |
Fraction sp3: | 0.73 |
HBA: | 8 |
HBD: | 5 |
Rotatable Bonds: | 9 |
TPSA: | 115.07 |
cLogP: | -1.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Long aliphatic chain
Alkyl Halide
MAR-TRE-36bf7dba-62
0.661
MAR-TRE-36bf7dba-88
0.446
MAR-TRE-36bf7dba-58
0.421
MAR-TRE-36bf7dba-92
0.418
MAR-TRE-36bf7dba-57
0.405
MAR-TRE-36bf7dba-48
0.397
MAR-TRE-36bf7dba-12
0.386
MAR-TRE-36bf7dba-65
0.380
MAR-TRE-36bf7dba-69
0.371
MAR-TRE-36bf7dba-79
0.371
MAR-TRE-36bf7dba-93
0.368
MAR-TRE-36bf7dba-55
0.364
MAR-TRE-36bf7dba-81
0.357
MAR-TRE-36bf7dba-60
0.351
MAR-TRE-36bf7dba-34
0.351
MAR-TRE-36bf7dba-78
0.350
MAR-TRE-36bf7dba-50
0.342
MAR-TRE-36bf7dba-89
0.342
MAR-TRE-36bf7dba-90
0.338
MAR-TRE-36bf7dba-36
0.338
MAR-TRE-36bf7dba-39
0.338
MAR-TRE-36bf7dba-71
0.338
MAR-TRE-36bf7dba-96
0.333
MAR-TRE-36bf7dba-7
0.333
MAR-TRE-36bf7dba-20
0.333
MAR-TRE-36bf7dba-30
0.329
MAR-TRE-36bf7dba-86
0.329
MAR-TRE-36bf7dba-35
0.321
MAR-TRE-36bf7dba-37
0.321
MAR-TRE-36bf7dba-51
0.320
MAR-TRE-36bf7dba-43
0.319
MAR-TRE-36bf7dba-91
0.319
MAR-TRE-36bf7dba-11
0.317
MAR-TRE-36bf7dba-56
0.316
MAR-TRE-36bf7dba-98
0.316
MAR-TRE-36bf7dba-1
0.316
MAR-TRE-36bf7dba-67
0.316
MAR-TRE-36bf7dba-97
0.315
MAR-TRE-36bf7dba-22
0.312
MAR-TRE-36bf7dba-23
0.311
MAR-TRE-36bf7dba-2
0.310
MAR-TRE-36bf7dba-49
0.310
MAR-TRE-36bf7dba-76
0.309
MAR-TRE-36bf7dba-14
0.308
MAR-TRE-36bf7dba-31
0.307
MAR-TRE-36bf7dba-53
0.307
MAR-TRE-36bf7dba-70
0.306
MAR-TRE-36bf7dba-85
0.305
MAR-TRE-36bf7dba-83
0.304
MAR-TRE-36bf7dba-80
0.303
MAR-TRE-36bf7dba-99
0.301
MAR-TRE-36bf7dba-5
0.301
MAR-TRE-36bf7dba-6
0.300
MAR-TRE-36bf7dba-41
0.299
MAR-TRE-36bf7dba-19
0.299
MAR-TRE-36bf7dba-3
0.297
MAR-TRE-36bf7dba-9
0.297
MAR-TRE-36bf7dba-94
0.296
MAR-TRE-36bf7dba-15
0.296
MAR-TRE-36bf7dba-33
0.293
MAR-TRE-36bf7dba-8
0.293
MAR-TRE-36bf7dba-47
0.293
MAR-TRE-36bf7dba-68
0.293
MAR-TRE-36bf7dba-4
0.289
MAR-TRE-36bf7dba-95
0.287
MAR-TRE-36bf7dba-64
0.284
MAR-TRE-36bf7dba-87
0.282
MAR-TRE-36bf7dba-100
0.282
MAR-TRE-423310b6-87
0.280
MAR-TRE-36bf7dba-38
0.279
MAR-TRE-36bf7dba-28
0.278
MAR-TRE-36bf7dba-54
0.274
MAR-TRE-36bf7dba-44
0.274
MAR-TRE-36bf7dba-40
0.272
MAR-TRE-36bf7dba-72
0.268
MAR-TRE-36bf7dba-74
0.268
MAR-TRE-36bf7dba-77
0.268
MAR-TRE-36bf7dba-63
0.267
MAR-TRE-36bf7dba-52
0.267
MAR-TRE-36bf7dba-82
0.267
MAR-TRE-36bf7dba-29
0.265
MAR-TRE-36bf7dba-84
0.265
MAR-TRE-36bf7dba-45
0.265
MAR-TRE-36bf7dba-66
0.258
MAR-TRE-36bf7dba-21
0.255
MAR-TRE-36bf7dba-24
0.253
MAR-TRE-36bf7dba-16
0.253
MAR-TRE-36bf7dba-13
0.253
MAR-TRE-36bf7dba-26
0.253
MAR-TRE-36bf7dba-42
0.247
MAR-TRE-36bf7dba-27
0.245
MAR-TRE-36bf7dba-46
0.244
MAR-TRE-36bf7dba-10
0.244
MAR-TRE-36bf7dba-75
0.242
MAR-TRE-36bf7dba-25
0.241
MAR-TRE-85681e92-97
0.239
MAR-TRE-4f39ef4a-87
0.237
MAR-TRE-36bf7dba-73
0.235
MAR-TRE-36bf7dba-18
0.235
MAR-TRE-36bf7dba-61
0.232