Molecular Properties | |
SMILES: | OCCNCCNCCOc1csc(CCl)n1 |
MW: | 279.08 |
Fraction sp3: | 0.7 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 66.41 |
cLogP: | 0.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Filter6_benzyl_halide
Long aliphatic chain
Unbranched chain
Alkyl Halide
MAR-TRE-36bf7dba-19
0.593
MAR-TRE-36bf7dba-7
0.536
MAR-TRE-36bf7dba-86
0.526
MAR-TRE-36bf7dba-70
0.517
MAR-TRE-36bf7dba-8
0.492
MAR-TRE-36bf7dba-33
0.492
MAR-TRE-36bf7dba-80
0.476
MAR-TRE-36bf7dba-100
0.469
MAR-TRE-36bf7dba-6
0.466
MAR-TRE-36bf7dba-3
0.452
MAR-TRE-36bf7dba-2
0.450
MAR-TRE-36bf7dba-5
0.435
MAR-TRE-36bf7dba-45
0.435
MAR-TRE-36bf7dba-46
0.432
MAR-TRE-36bf7dba-12
0.422
MAR-TRE-36bf7dba-50
0.415
MAR-TRE-36bf7dba-31
0.415
MAR-TRE-36bf7dba-81
0.413
MAR-TRE-36bf7dba-25
0.406
MAR-TRE-36bf7dba-39
0.403
MAR-TRE-36bf7dba-96
0.400
MAR-TRE-36bf7dba-15
0.394
MAR-TRE-36bf7dba-83
0.386
MAR-TRE-36bf7dba-97
0.385
MAR-TRE-36bf7dba-10
0.384
MAR-TRE-36bf7dba-60
0.382
MAR-TRE-36bf7dba-38
0.368
MAR-TRE-36bf7dba-11
0.360
MAR-TRE-36bf7dba-94
0.356
MAR-TRE-36bf7dba-91
0.348
MAR-TRE-36bf7dba-72
0.342
MAR-TRE-36bf7dba-59
0.333
MAR-TRE-36bf7dba-53
0.333
MAR-TRE-36bf7dba-62
0.333
MAR-TRE-36bf7dba-85
0.329
MAR-TRE-36bf7dba-95
0.329
MAR-TRE-36bf7dba-36
0.329
MAR-TRE-36bf7dba-51
0.329
MAR-TRE-36bf7dba-43
0.328
MAR-TRE-36bf7dba-99
0.328
MAR-TRE-36bf7dba-9
0.324
MAR-TRE-36bf7dba-69
0.324
MAR-TRE-36bf7dba-28
0.319
MAR-TRE-36bf7dba-23
0.319
MAR-TRE-36bf7dba-49
0.318
MAR-TRE-36bf7dba-14
0.315
MAR-TRE-36bf7dba-17
0.315
MAR-TRE-36bf7dba-89
0.314
MAR-TRE-36bf7dba-37
0.311
MAR-TRE-36bf7dba-48
0.309
MAR-TRE-36bf7dba-90
0.309
MAR-TRE-36bf7dba-1
0.306
MAR-TRE-36bf7dba-87
0.306
MAR-TRE-36bf7dba-41
0.306
MAR-TRE-36bf7dba-79
0.304
MAR-TRE-36bf7dba-22
0.301
MAR-TRE-36bf7dba-30
0.301
MAR-TRE-36bf7dba-76
0.299
MAR-TRE-36bf7dba-13
0.297
MAR-TRE-36bf7dba-4
0.296
MAR-TRE-36bf7dba-40
0.293
MAR-TRE-36bf7dba-64
0.289
MAR-TRE-36bf7dba-56
0.289
MAR-TRE-36bf7dba-57
0.289
MAR-TRE-36bf7dba-74
0.289
MAR-TRE-36bf7dba-93
0.289
MAR-TRE-36bf7dba-61
0.289
MAR-TRE-36bf7dba-34
0.288
MAR-TRE-36bf7dba-67
0.288
MAR-TRE-36bf7dba-84
0.286
MAR-TRE-36bf7dba-77
0.286
MAR-TRE-36bf7dba-55
0.286
MAR-TRE-36bf7dba-24
0.284
MAR-TRE-36bf7dba-16
0.283
MAR-TRE-36bf7dba-47
0.282
MAR-TRE-36bf7dba-42
0.280
MAR-TRE-36bf7dba-44
0.278
MAR-TRE-36bf7dba-54
0.278
MAR-TRE-36bf7dba-88
0.278
MAR-TRE-36bf7dba-35
0.278
MAR-TRE-36bf7dba-18
0.278
MAR-TRE-36bf7dba-66
0.277
MAR-TRE-36bf7dba-58
0.275
MAR-TRE-36bf7dba-98
0.273
MAR-TRE-36bf7dba-52
0.272
MAR-TRE-36bf7dba-65
0.272
MAR-TRE-36bf7dba-82
0.271
MAR-TRE-36bf7dba-29
0.269
MAR-TRE-36bf7dba-68
0.266
MAR-TRE-36bf7dba-71
0.263
MAR-TRE-36bf7dba-92
0.262
MAR-TRE-36bf7dba-78
0.259
MAR-TRE-36bf7dba-75
0.259
MAR-TRE-36bf7dba-63
0.256
MAR-TRE-36bf7dba-32
0.244
MAR-TRE-36bf7dba-26
0.242
MAR-TRE-36bf7dba-73
0.237
MAR-TRE-36bf7dba-27
0.235
MAR-TRE-36bf7dba-21
0.232
MAR-TRE-9c797165-81
0.211