Molecular Properties | |
SMILES: | O=S(=O)(O)OCCNc1cnc(CCl)[nH]1 |
MW: | 255.01 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 104.31 |
cLogP: | 0.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Sulfonic acid
Sulfurous acid esters
Filter6_benzyl_halide
alkyl esters of S or P
S/PO3 groups
Sulfonic acid
Hetero_hetero
Alkyl Halide
Sulfonate_Ester
MAR-TRE-87acfbcc-90
0.553
MAR-TRE-87acfbcc-4
0.527
MAR-TRE-87acfbcc-61
0.516
MAR-TRE-87acfbcc-58
0.508
MAR-TRE-87acfbcc-89
0.500
MAR-TRE-87acfbcc-86
0.473
MAR-TRE-87acfbcc-44
0.460
MAR-TRE-87acfbcc-45
0.448
MAR-TRE-87acfbcc-54
0.435
MAR-TRE-87acfbcc-49
0.424
MAR-TRE-87acfbcc-62
0.417
MAR-TRE-87acfbcc-32
0.413
MAR-TRE-87acfbcc-81
0.400
MAR-TRE-87acfbcc-98
0.400
MAR-TRE-87acfbcc-94
0.388
MAR-TRE-87acfbcc-33
0.387
MAR-TRE-87acfbcc-79
0.386
MAR-TRE-87acfbcc-12
0.379
MAR-TRE-87acfbcc-7
0.377
MAR-TRE-87acfbcc-93
0.375
MAR-TRE-87acfbcc-36
0.373
MAR-TRE-87acfbcc-47
0.371
MAR-TRE-87acfbcc-38
0.367
MAR-TRE-87acfbcc-76
0.365
MAR-TRE-87acfbcc-13
0.361
MAR-TRE-87acfbcc-10
0.358
MAR-TRE-87acfbcc-48
0.355
MAR-TRE-87acfbcc-34
0.353
MAR-TRE-87acfbcc-41
0.350
MAR-TRE-87acfbcc-11
0.349
MAR-TRE-87acfbcc-91
0.339
MAR-TRE-87acfbcc-15
0.333
MAR-TRE-87acfbcc-20
0.333
MAR-TRE-87acfbcc-73
0.333
MAR-TRE-87acfbcc-37
0.333
MAR-TRE-87acfbcc-25
0.329
MAR-TRE-87acfbcc-53
0.324
MAR-TRE-87acfbcc-67
0.324
MAR-TRE-87acfbcc-35
0.319
MAR-TRE-87acfbcc-46
0.318
MAR-TRE-87acfbcc-50
0.318
MAR-TRE-87acfbcc-21
0.318
MAR-TRE-87acfbcc-95
0.314
MAR-TRE-87acfbcc-16
0.313
MAR-TRE-87acfbcc-97
0.310
MAR-TRE-87acfbcc-28
0.309
MAR-TRE-87acfbcc-2
0.309
MAR-TRE-87acfbcc-8
0.308
MAR-TRE-87acfbcc-99
0.306
MAR-TRE-87acfbcc-22
0.304
MAR-TRE-87acfbcc-87
0.304
MAR-TRE-87acfbcc-72
0.304
MAR-TRE-87acfbcc-9
0.304
MAR-TRE-87acfbcc-100
0.303
MAR-TRE-87acfbcc-70
0.302
MAR-TRE-87acfbcc-63
0.300
MAR-TRE-87acfbcc-19
0.296
MAR-TRE-87acfbcc-65
0.295
MAR-TRE-87acfbcc-51
0.292
MAR-TRE-87acfbcc-14
0.290
MAR-TRE-87acfbcc-71
0.288
MAR-TRE-87acfbcc-83
0.288
MAR-TRE-87acfbcc-5
0.284
MAR-TRE-87acfbcc-59
0.284
MAR-TRE-87acfbcc-68
0.284
MAR-TRE-87acfbcc-26
0.283
MAR-TRE-87acfbcc-85
0.275
MAR-TRE-87acfbcc-27
0.271
MAR-TRE-423310b6-91
0.269
MAR-TRE-87acfbcc-24
0.268
MAR-TRE-87acfbcc-29
0.266
MAR-TRE-87acfbcc-1
0.262
MAR-TRE-87acfbcc-69
0.262
MAR-TRE-87acfbcc-74
0.260
MAR-TRE-87acfbcc-30
0.258
MAR-TRE-87acfbcc-92
0.258
MAR-TRE-87acfbcc-6
0.257
MAR-TRE-87acfbcc-57
0.254
MAR-TRE-87acfbcc-82
0.254
MAR-TRE-87acfbcc-56
0.250
MAR-TRE-87acfbcc-77
0.250
MAR-TRE-87acfbcc-64
0.250
MAR-TRE-87acfbcc-3
0.247
MAR-TRE-87acfbcc-42
0.243
MAR-TRE-87acfbcc-80
0.243
MAR-TRE-87acfbcc-23
0.241
MAR-TRE-87acfbcc-84
0.238
MAR-TRE-87acfbcc-78
0.237
MAR-TRE-87acfbcc-39
0.230
MAR-TRE-423310b6-41
0.227
MAR-TRE-87acfbcc-88
0.225
MAR-TRE-423310b6-82
0.225
MAR-TRE-423310b6-94
0.222
MAR-TRE-87acfbcc-66
0.222
MAR-TRE-87acfbcc-31
0.220
MAR-TRE-423310b6-60
0.219
MAR-TRE-423310b6-47
0.218
MAR-TRE-36bf7dba-96
0.218
MAR-TRE-87acfbcc-52
0.216
MAR-TRE-423310b6-32
0.216