Molecular Properties | |
SMILES: | O=C(CSc1ccncc1)Oc1csc(CCl)n1 |
MW: | 299.98 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 52.08 |
cLogP: | 2.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Alkyl Halide
MAR-TRE-36bf7dba-28
0.594
MAR-TRE-36bf7dba-9
0.565
MAR-TRE-36bf7dba-22
0.500
MAR-TRE-36bf7dba-64
0.479
MAR-TRE-36bf7dba-91
0.455
MAR-TRE-36bf7dba-43
0.455
MAR-TRE-36bf7dba-99
0.455
MAR-TRE-36bf7dba-84
0.452
MAR-TRE-36bf7dba-97
0.448
MAR-TRE-36bf7dba-87
0.443
MAR-TRE-36bf7dba-44
0.440
MAR-TRE-36bf7dba-74
0.438
MAR-TRE-36bf7dba-31
0.435
MAR-TRE-36bf7dba-53
0.435
MAR-TRE-36bf7dba-89
0.435
MAR-TRE-36bf7dba-52
0.429
MAR-TRE-36bf7dba-51
0.429
MAR-TRE-36bf7dba-76
0.427
MAR-TRE-36bf7dba-41
0.423
MAR-TRE-36bf7dba-54
0.421
MAR-TRE-36bf7dba-79
0.406
MAR-TRE-36bf7dba-95
0.405
MAR-TRE-36bf7dba-42
0.400
MAR-TRE-36bf7dba-30
0.397
MAR-TRE-36bf7dba-90
0.391
MAR-TRE-36bf7dba-75
0.390
MAR-TRE-36bf7dba-36
0.389
MAR-TRE-36bf7dba-37
0.387
MAR-TRE-36bf7dba-1
0.384
MAR-TRE-36bf7dba-23
0.380
MAR-TRE-36bf7dba-66
0.378
MAR-TRE-36bf7dba-4
0.375
MAR-TRE-36bf7dba-47
0.372
MAR-TRE-36bf7dba-82
0.369
MAR-TRE-36bf7dba-67
0.365
MAR-TRE-36bf7dba-56
0.364
MAR-TRE-36bf7dba-63
0.358
MAR-TRE-36bf7dba-14
0.355
MAR-TRE-36bf7dba-69
0.347
MAR-TRE-36bf7dba-78
0.346
MAR-TRE-36bf7dba-55
0.342
MAR-TRE-36bf7dba-68
0.338
MAR-TRE-36bf7dba-80
0.333
MAR-TRE-36bf7dba-81
0.333
MAR-TRE-36bf7dba-48
0.333
MAR-TRE-36bf7dba-93
0.329
MAR-TRE-36bf7dba-34
0.329
MAR-TRE-36bf7dba-73
0.326
MAR-TRE-36bf7dba-12
0.324
MAR-TRE-36bf7dba-35
0.317
MAR-TRE-36bf7dba-98
0.312
MAR-TRE-36bf7dba-60
0.312
MAR-TRE-36bf7dba-65
0.310
MAR-TRE-36bf7dba-29
0.309
MAR-TRE-36bf7dba-86
0.306
MAR-TRE-36bf7dba-26
0.302
MAR-TRE-36bf7dba-70
0.301
MAR-TRE-36bf7dba-88
0.301
MAR-TRE-36bf7dba-25
0.300
MAR-TRE-36bf7dba-57
0.296
MAR-TRE-36bf7dba-19
0.295
MAR-TRE-36bf7dba-20
0.293
MAR-TRE-36bf7dba-94
0.293
MAR-TRE-36bf7dba-7
0.292
MAR-TRE-36bf7dba-21
0.290
MAR-TRE-36bf7dba-8
0.289
MAR-TRE-36bf7dba-33
0.289
MAR-TRE-36bf7dba-49
0.288
MAR-TRE-36bf7dba-10
0.286
MAR-TRE-36bf7dba-71
0.286
MAR-TRE-36bf7dba-62
0.286
MAR-TRE-36bf7dba-92
0.284
MAR-TRE-36bf7dba-27
0.280
MAR-TRE-36bf7dba-6
0.278
MAR-TRE-36bf7dba-15
0.277
MAR-TRE-36bf7dba-38
0.276
MAR-TRE-36bf7dba-59
0.272
MAR-TRE-36bf7dba-39
0.271
MAR-TRE-36bf7dba-85
0.271
MAR-TRE-36bf7dba-2
0.270
MAR-TRE-36bf7dba-46
0.270
MAR-TRE-36bf7dba-50
0.269
MAR-TRE-36bf7dba-11
0.267
MAR-TRE-36bf7dba-58
0.267
MAR-TRE-36bf7dba-72
0.265
MAR-TRE-36bf7dba-96
0.265
MAR-TRE-36bf7dba-5
0.263
MAR-TRE-36bf7dba-100
0.263
MAR-TRE-36bf7dba-45
0.262
MAR-TRE-36bf7dba-3
0.260
MAR-TRE-36bf7dba-83
0.253
MAR-TRE-36bf7dba-17
0.253
MAR-TRE-36bf7dba-77
0.253
MAR-TRE-67513f76-49
0.247
MAR-TRE-36bf7dba-32
0.239
MAR-TRE-36bf7dba-13
0.238
MAR-TRE-36bf7dba-61
0.230
MAR-TRE-67513f76-68
0.230
DRR-IMP-38dce17f-6
0.227
MAR-TRE-36bf7dba-24
0.224