Molecular Properties | |
SMILES: | O=C(CSc1ncccn1)Oc1csc(CCl)n1 |
MW: | 300.97 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 64.97 |
cLogP: | 2.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Alkyl Halide
MAR-TRE-36bf7dba-40
0.594
MAR-TRE-36bf7dba-9
0.557
MAR-TRE-36bf7dba-22
0.515
MAR-TRE-36bf7dba-64
0.471
MAR-TRE-36bf7dba-91
0.469
MAR-TRE-36bf7dba-99
0.469
MAR-TRE-36bf7dba-43
0.469
MAR-TRE-36bf7dba-97
0.462
MAR-TRE-36bf7dba-87
0.456
MAR-TRE-36bf7dba-74
0.451
MAR-TRE-36bf7dba-31
0.448
MAR-TRE-36bf7dba-53
0.448
MAR-TRE-36bf7dba-89
0.448
MAR-TRE-36bf7dba-90
0.446
MAR-TRE-36bf7dba-51
0.441
MAR-TRE-36bf7dba-76
0.438
MAR-TRE-36bf7dba-41
0.435
MAR-TRE-36bf7dba-54
0.432
MAR-TRE-36bf7dba-84
0.425
MAR-TRE-36bf7dba-95
0.417
MAR-TRE-36bf7dba-44
0.413
MAR-TRE-36bf7dba-23
0.412
MAR-TRE-36bf7dba-30
0.408
MAR-TRE-36bf7dba-66
0.405
MAR-TRE-36bf7dba-52
0.403
MAR-TRE-36bf7dba-36
0.400
MAR-TRE-36bf7dba-1
0.394
MAR-TRE-36bf7dba-42
0.392
MAR-TRE-36bf7dba-4
0.386
MAR-TRE-36bf7dba-14
0.384
MAR-TRE-36bf7dba-75
0.383
MAR-TRE-36bf7dba-37
0.378
MAR-TRE-36bf7dba-82
0.378
MAR-TRE-36bf7dba-67
0.375
MAR-TRE-36bf7dba-63
0.367
MAR-TRE-36bf7dba-47
0.364
MAR-TRE-36bf7dba-25
0.360
MAR-TRE-36bf7dba-35
0.359
MAR-TRE-36bf7dba-69
0.357
MAR-TRE-36bf7dba-56
0.355
MAR-TRE-36bf7dba-70
0.348
MAR-TRE-36bf7dba-68
0.346
MAR-TRE-36bf7dba-81
0.343
MAR-TRE-36bf7dba-48
0.343
MAR-TRE-36bf7dba-80
0.342
MAR-TRE-36bf7dba-60
0.338
MAR-TRE-36bf7dba-34
0.338
MAR-TRE-36bf7dba-78
0.338
MAR-TRE-36bf7dba-12
0.333
MAR-TRE-36bf7dba-55
0.333
MAR-TRE-36bf7dba-86
0.333
MAR-TRE-36bf7dba-73
0.333
MAR-TRE-36bf7dba-93
0.321
MAR-TRE-36bf7dba-19
0.320
MAR-TRE-36bf7dba-20
0.319
MAR-TRE-36bf7dba-79
0.319
MAR-TRE-36bf7dba-7
0.319
MAR-TRE-36bf7dba-94
0.316
MAR-TRE-36bf7dba-8
0.315
MAR-TRE-36bf7dba-33
0.315
MAR-TRE-36bf7dba-39
0.309
MAR-TRE-36bf7dba-85
0.309
MAR-TRE-36bf7dba-6
0.304
MAR-TRE-36bf7dba-98
0.304
MAR-TRE-36bf7dba-29
0.300
MAR-TRE-36bf7dba-45
0.300
MAR-TRE-36bf7dba-2
0.296
MAR-TRE-36bf7dba-49
0.296
MAR-TRE-36bf7dba-26
0.295
MAR-TRE-36bf7dba-62
0.293
MAR-TRE-36bf7dba-50
0.293
MAR-TRE-36bf7dba-10
0.293
MAR-TRE-36bf7dba-71
0.293
MAR-TRE-36bf7dba-88
0.293
MAR-TRE-36bf7dba-46
0.291
MAR-TRE-36bf7dba-11
0.289
MAR-TRE-36bf7dba-5
0.288
MAR-TRE-36bf7dba-57
0.287
MAR-TRE-36bf7dba-72
0.287
MAR-TRE-36bf7dba-96
0.287
MAR-TRE-36bf7dba-100
0.286
MAR-TRE-36bf7dba-27
0.286
MAR-TRE-36bf7dba-65
0.286
MAR-TRE-a3327163-34
0.284
MAR-TRE-36bf7dba-15
0.284
MAR-TRE-36bf7dba-3
0.284
MAR-TRE-36bf7dba-21
0.283
MAR-TRE-36bf7dba-38
0.282
MAR-TRE-36bf7dba-13
0.281
MAR-TRE-36bf7dba-59
0.278
MAR-TRE-36bf7dba-83
0.275
MAR-TRE-36bf7dba-58
0.274
MAR-TRE-36bf7dba-61
0.274
MAR-TRE-0fda4e82-20
0.273
MAR-TRE-36bf7dba-77
0.271
MAR-TRE-1c920f6f-46
0.270
MAR-TRE-1c920f6f-7
0.267
MAR-TRE-36bf7dba-92
0.261
MAR-TRE-a3327163-20
0.259
MAR-TRE-dab8f6ea-47
0.258