Molecular Properties | |
SMILES: | O=S(=O)(O)CCN(CCO)CCOc1csc(CCl)n1 |
MW: | 344.03 |
Fraction sp3: | 0.7 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 99.96 |
cLogP: | 0.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Sulfonic acid
Filter6_benzyl_halide
S/PO3 groups
Sulfonic acid
Long aliphatic chain
Alkyl Halide
sulphates
MAR-TRE-36bf7dba-7
0.532
MAR-TRE-36bf7dba-10
0.486
MAR-TRE-36bf7dba-86
0.477
MAR-TRE-36bf7dba-33
0.471
MAR-TRE-36bf7dba-3
0.456
MAR-TRE-36bf7dba-100
0.451
MAR-TRE-36bf7dba-19
0.451
MAR-TRE-36bf7dba-70
0.448
MAR-TRE-36bf7dba-6
0.446
MAR-TRE-36bf7dba-96
0.446
MAR-TRE-36bf7dba-80
0.437
MAR-TRE-36bf7dba-20
0.435
MAR-TRE-36bf7dba-2
0.433
MAR-TRE-36bf7dba-8
0.429
MAR-TRE-36bf7dba-5
0.420
MAR-TRE-36bf7dba-38
0.412
MAR-TRE-36bf7dba-50
0.403
MAR-TRE-36bf7dba-81
0.400
MAR-TRE-36bf7dba-25
0.377
MAR-TRE-36bf7dba-39
0.375
MAR-TRE-36bf7dba-60
0.373
MAR-TRE-36bf7dba-12
0.370
MAR-TRE-36bf7dba-43
0.361
MAR-TRE-36bf7dba-41
0.338
MAR-TRE-36bf7dba-46
0.337
MAR-TRE-36bf7dba-15
0.333
MAR-TRE-36bf7dba-89
0.329
MAR-TRE-36bf7dba-83
0.325
MAR-TRE-36bf7dba-99
0.324
MAR-TRE-36bf7dba-11
0.321
MAR-TRE-36bf7dba-72
0.321
MAR-TRE-36bf7dba-94
0.317
MAR-TRE-36bf7dba-14
0.312
MAR-TRE-36bf7dba-85
0.310
MAR-TRE-36bf7dba-95
0.309
MAR-TRE-36bf7dba-48
0.307
MAR-TRE-36bf7dba-34
0.304
MAR-TRE-36bf7dba-9
0.303
MAR-TRE-36bf7dba-55
0.301
MAR-TRE-36bf7dba-28
0.300
MAR-TRE-36bf7dba-23
0.299
MAR-TRE-36bf7dba-4
0.295
MAR-TRE-36bf7dba-91
0.289
MAR-TRE-36bf7dba-90
0.289
MAR-TRE-36bf7dba-1
0.287
MAR-TRE-36bf7dba-67
0.287
MAR-TRE-36bf7dba-87
0.287
MAR-TRE-36bf7dba-69
0.286
MAR-TRE-36bf7dba-97
0.286
MAR-TRE-36bf7dba-22
0.284
MAR-TRE-36bf7dba-49
0.280
MAR-TRE-36bf7dba-53
0.278
MAR-TRE-36bf7dba-31
0.278
MAR-TRE-36bf7dba-62
0.278
MAR-TRE-36bf7dba-66
0.278
MAR-TRE-36bf7dba-37
0.277
MAR-TRE-36bf7dba-61
0.276
MAR-TRE-36bf7dba-51
0.275
MAR-TRE-36bf7dba-36
0.275
MAR-TRE-36bf7dba-64
0.274
MAR-TRE-36bf7dba-24
0.271
MAR-TRE-36bf7dba-29
0.271
MAR-TRE-36bf7dba-79
0.269
MAR-TRE-36bf7dba-30
0.268
MAR-TRE-36bf7dba-47
0.267
MAR-TRE-36bf7dba-18
0.265
MAR-TRE-36bf7dba-59
0.265
MAR-TRE-36bf7dba-35
0.264
MAR-TRE-36bf7dba-40
0.262
MAR-TRE-36bf7dba-17
0.260
MAR-TRE-36bf7dba-77
0.260
MAR-TRE-36bf7dba-56
0.259
MAR-TRE-36bf7dba-74
0.259
MAR-TRE-36bf7dba-98
0.259
MAR-TRE-36bf7dba-93
0.259
MAR-TRE-36bf7dba-63
0.258
MAR-TRE-36bf7dba-13
0.257
MAR-TRE-36bf7dba-84
0.256
MAR-TRE-36bf7dba-68
0.253
MAR-TRE-36bf7dba-76
0.253
MAR-TRE-36bf7dba-42
0.253
MAR-TRE-36bf7dba-54
0.250
MAR-TRE-36bf7dba-44
0.250
MAR-TRE-36bf7dba-71
0.250
MAR-TRE-36bf7dba-75
0.247
MAR-TRE-36bf7dba-78
0.247
MAR-TRE-36bf7dba-58
0.247
MAR-TRE-36bf7dba-16
0.245
MAR-TRE-36bf7dba-82
0.245
MAR-TRE-36bf7dba-52
0.244
MAR-TRE-36bf7dba-57
0.244
MAR-TRE-36bf7dba-73
0.240
MAR-TRE-36bf7dba-88
0.236
MAR-TRE-36bf7dba-32
0.233
MAR-TRE-36bf7dba-65
0.231
MAR-TRE-aca67d11-32
0.224
MAR-TRE-36bf7dba-92
0.223
MAR-TRE-36bf7dba-26
0.221
MAR-TRE-8a25d817-49
0.213
MAR-TRE-423310b6-91
0.212