Molecular Properties | |
SMILES: | CC(Oc1csc(CCl)n1)c1ccncc1 |
MW: | 254.03 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 35.01 |
cLogP: | 3.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-36bf7dba-48
0.435
MAR-TRE-36bf7dba-57
0.420
MAR-TRE-36bf7dba-93
0.420
MAR-TRE-36bf7dba-55
0.414
MAR-TRE-36bf7dba-69
0.406
MAR-TRE-36bf7dba-40
0.406
MAR-TRE-36bf7dba-65
0.392
MAR-TRE-36bf7dba-88
0.384
MAR-TRE-36bf7dba-34
0.382
MAR-TRE-36bf7dba-92
0.377
MAR-TRE-36bf7dba-62
0.373
MAR-TRE-36bf7dba-59
0.371
MAR-TRE-36bf7dba-90
0.369
MAR-TRE-36bf7dba-78
0.360
MAR-TRE-36bf7dba-36
0.348
MAR-TRE-36bf7dba-35
0.347
MAR-TRE-36bf7dba-71
0.347
MAR-TRE-36bf7dba-56
0.342
MAR-TRE-36bf7dba-58
0.342
MAR-TRE-36bf7dba-49
0.338
MAR-TRE-36bf7dba-2
0.338
MAR-TRE-36bf7dba-30
0.338
MAR-TRE-36bf7dba-47
0.333
MAR-TRE-36bf7dba-89
0.333
MAR-TRE-36bf7dba-44
0.329
MAR-TRE-36bf7dba-37
0.329
MAR-TRE-36bf7dba-5
0.328
MAR-TRE-36bf7dba-43
0.328
MAR-TRE-36bf7dba-81
0.328
MAR-TRE-36bf7dba-6
0.328
MAR-TRE-36bf7dba-67
0.324
MAR-TRE-36bf7dba-3
0.324
MAR-TRE-36bf7dba-7
0.323
MAR-TRE-36bf7dba-52
0.321
MAR-TRE-36bf7dba-15
0.320
MAR-TRE-36bf7dba-22
0.319
MAR-TRE-36bf7dba-28
0.319
MAR-TRE-36bf7dba-23
0.319
MAR-TRE-36bf7dba-86
0.318
MAR-TRE-36bf7dba-14
0.315
MAR-TRE-36bf7dba-70
0.313
MAR-TRE-36bf7dba-54
0.312
MAR-TRE-36bf7dba-95
0.311
MAR-TRE-36bf7dba-80
0.310
MAR-TRE-36bf7dba-51
0.310
MAR-TRE-36bf7dba-91
0.309
MAR-TRE-36bf7dba-99
0.309
MAR-TRE-36bf7dba-64
0.307
MAR-TRE-36bf7dba-41
0.306
MAR-TRE-36bf7dba-1
0.306
MAR-TRE-36bf7dba-9
0.304
MAR-TRE-36bf7dba-20
0.304
MAR-TRE-36bf7dba-97
0.304
MAR-TRE-36bf7dba-29
0.303
MAR-TRE-36bf7dba-94
0.303
MAR-TRE-36bf7dba-8
0.300
MAR-TRE-36bf7dba-12
0.300
MAR-TRE-36bf7dba-33
0.300
MAR-TRE-36bf7dba-26
0.297
MAR-TRE-36bf7dba-31
0.296
MAR-TRE-36bf7dba-4
0.296
MAR-TRE-36bf7dba-50
0.296
MAR-TRE-36bf7dba-53
0.296
MAR-TRE-36bf7dba-39
0.295
MAR-TRE-36bf7dba-25
0.293
MAR-TRE-36bf7dba-11
0.291
MAR-TRE-36bf7dba-98
0.289
MAR-TRE-36bf7dba-74
0.289
MAR-TRE-36bf7dba-87
0.288
MAR-TRE-36bf7dba-100
0.288
MAR-TRE-36bf7dba-19
0.288
MAR-TRE-36bf7dba-60
0.288
MAR-TRE-36bf7dba-63
0.287
MAR-TRE-36bf7dba-84
0.286
MAR-TRE-36bf7dba-21
0.284
MAR-TRE-36bf7dba-38
0.284
MAR-TRE-36bf7dba-76
0.282
MAR-TRE-36bf7dba-68
0.282
MAR-TRE-36bf7dba-85
0.278
MAR-TRE-36bf7dba-46
0.277
MAR-TRE-36bf7dba-66
0.277
MAR-TRE-36bf7dba-83
0.276
MAR-TRE-36bf7dba-27
0.274
MAR-TRE-36bf7dba-72
0.273
MAR-TRE-36bf7dba-96
0.273
MAR-TRE-36bf7dba-82
0.271
MAR-TRE-36bf7dba-45
0.269
MAR-TRE-36bf7dba-42
0.265
MAR-TRE-36bf7dba-10
0.263
MAR-TRE-36bf7dba-32
0.259
MAR-TRE-36bf7dba-75
0.259
MAR-TRE-36bf7dba-24
0.256
MAR-TRE-36bf7dba-77
0.245
MAR-TRE-36bf7dba-17
0.245
MAR-TRE-36bf7dba-16
0.242
MAR-TRE-36bf7dba-73
0.237
MAR-TRE-36bf7dba-13
0.229
MAR-TRE-67513f76-49
0.224
MAR-TRE-36bf7dba-18
0.223
MAR-TRE-c8530538-75
0.210