Molecular Properties | |
SMILES: | O=S(=O)(O)CC(O)CN1CCN(CCOc2csc(CCl)n2)CC1 |
MW: | 399.07 |
Fraction sp3: | 0.77 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 103.2 |
cLogP: | 0.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Sulfonic acid
Filter6_benzyl_halide
S/PO3 groups
Sulfonic acid
Alkyl Halide
sulphates
MAR-TRE-36bf7dba-10
0.667
MAR-TRE-36bf7dba-80
0.427
MAR-TRE-36bf7dba-45
0.412
MAR-TRE-36bf7dba-7
0.408
MAR-TRE-36bf7dba-3
0.405
MAR-TRE-36bf7dba-2
0.403
MAR-TRE-36bf7dba-6
0.394
MAR-TRE-36bf7dba-81
0.392
MAR-TRE-36bf7dba-5
0.392
MAR-TRE-36bf7dba-86
0.384
MAR-TRE-36bf7dba-12
0.382
MAR-TRE-36bf7dba-70
0.378
MAR-TRE-36bf7dba-50
0.377
MAR-TRE-36bf7dba-25
0.370
MAR-TRE-36bf7dba-20
0.368
MAR-TRE-36bf7dba-19
0.367
MAR-TRE-36bf7dba-96
0.366
MAR-TRE-36bf7dba-8
0.364
MAR-TRE-36bf7dba-33
0.364
MAR-TRE-36bf7dba-60
0.350
MAR-TRE-36bf7dba-100
0.350
MAR-TRE-36bf7dba-90
0.338
MAR-TRE-36bf7dba-39
0.337
MAR-TRE-36bf7dba-72
0.333
MAR-TRE-36bf7dba-11
0.333
MAR-TRE-36bf7dba-15
0.329
MAR-TRE-36bf7dba-85
0.322
MAR-TRE-36bf7dba-46
0.319
MAR-TRE-36bf7dba-23
0.312
MAR-TRE-36bf7dba-47
0.310
MAR-TRE-36bf7dba-14
0.310
MAR-TRE-36bf7dba-83
0.306
MAR-TRE-36bf7dba-36
0.305
MAR-TRE-36bf7dba-48
0.304
MAR-TRE-36bf7dba-67
0.301
MAR-TRE-36bf7dba-9
0.300
MAR-TRE-36bf7dba-55
0.299
MAR-TRE-36bf7dba-94
0.299
MAR-TRE-36bf7dba-22
0.298
MAR-TRE-36bf7dba-62
0.293
MAR-TRE-36bf7dba-89
0.293
MAR-TRE-36bf7dba-37
0.291
MAR-TRE-36bf7dba-95
0.291
MAR-TRE-36bf7dba-43
0.287
MAR-TRE-36bf7dba-56
0.287
MAR-TRE-36bf7dba-98
0.287
MAR-TRE-36bf7dba-1
0.286
MAR-TRE-36bf7dba-34
0.286
MAR-TRE-36bf7dba-29
0.284
MAR-TRE-36bf7dba-79
0.284
MAR-TRE-36bf7dba-69
0.284
MAR-TRE-36bf7dba-24
0.283
MAR-TRE-36bf7dba-28
0.282
MAR-TRE-36bf7dba-30
0.282
MAR-TRE-36bf7dba-16
0.282
MAR-TRE-36bf7dba-68
0.281
MAR-TRE-36bf7dba-59
0.279
MAR-TRE-36bf7dba-49
0.278
MAR-TRE-36bf7dba-71
0.278
MAR-TRE-36bf7dba-40
0.276
MAR-TRE-36bf7dba-61
0.275
MAR-TRE-36bf7dba-51
0.274
MAR-TRE-36bf7dba-64
0.273
MAR-TRE-36bf7dba-57
0.273
MAR-TRE-36bf7dba-93
0.273
MAR-TRE-36bf7dba-77
0.272
MAR-TRE-36bf7dba-17
0.272
MAR-TRE-36bf7dba-65
0.272
MAR-TRE-36bf7dba-99
0.272
MAR-TRE-36bf7dba-91
0.272
MAR-TRE-36bf7dba-41
0.271
MAR-TRE-36bf7dba-13
0.269
MAR-TRE-36bf7dba-97
0.268
MAR-TRE-36bf7dba-76
0.267
MAR-TRE-36bf7dba-18
0.265
MAR-TRE-36bf7dba-35
0.264
MAR-TRE-36bf7dba-54
0.264
MAR-TRE-36bf7dba-88
0.264
MAR-TRE-36bf7dba-4
0.262
MAR-TRE-36bf7dba-53
0.262
MAR-TRE-36bf7dba-31
0.262
MAR-TRE-36bf7dba-78
0.261
MAR-TRE-36bf7dba-58
0.261
MAR-TRE-36bf7dba-74
0.258
MAR-TRE-36bf7dba-87
0.256
MAR-TRE-36bf7dba-42
0.253
MAR-TRE-36bf7dba-66
0.250
MAR-TRE-36bf7dba-44
0.250
MAR-TRE-36bf7dba-27
0.250
MAR-TRE-36bf7dba-26
0.245
MAR-TRE-36bf7dba-52
0.245
MAR-TRE-36bf7dba-63
0.245
MAR-TRE-36bf7dba-84
0.242
MAR-TRE-36bf7dba-92
0.237
MAR-TRE-36bf7dba-21
0.236
MAR-TRE-36bf7dba-75
0.235
MAR-TRE-36bf7dba-32
0.234
MAR-TRE-423310b6-11
0.233
MAR-TRE-87acfbcc-78
0.233
MAR-TRE-8a25d817-22
0.232