Molecular Properties | |
SMILES: | O=C(NCC1CCCCO1)c1conc1CCl |
MW: | 258.08 |
Fraction sp3: | 0.64 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 64.36 |
cLogP: | 1.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-a78003aa-100
0.873
MAR-TRE-a78003aa-88
0.607
MAR-TRE-a78003aa-56
0.567
MAR-TRE-a78003aa-19
0.548
MAR-TRE-a78003aa-85
0.492
MAR-TRE-a78003aa-69
0.476
MAR-TRE-a78003aa-68
0.476
MAR-TRE-a78003aa-20
0.470
MAR-TRE-a78003aa-72
0.469
MAR-TRE-a78003aa-36
0.469
MAR-TRE-a78003aa-51
0.469
MAR-TRE-a78003aa-97
0.464
MAR-TRE-a78003aa-4
0.462
MAR-TRE-a78003aa-40
0.462
MAR-TRE-a78003aa-6
0.462
MAR-TRE-a78003aa-76
0.462
MAR-TRE-a78003aa-64
0.456
MAR-TRE-a78003aa-24
0.455
MAR-TRE-a78003aa-23
0.455
MAR-TRE-a78003aa-92
0.455
MAR-TRE-a78003aa-15
0.455
MAR-TRE-a78003aa-16
0.455
MAR-TRE-a78003aa-17
0.448
MAR-TRE-a78003aa-99
0.448
MAR-TRE-a78003aa-32
0.448
MAR-TRE-a78003aa-37
0.441
MAR-TRE-a78003aa-44
0.441
MAR-TRE-a78003aa-46
0.440
MAR-TRE-a78003aa-11
0.435
MAR-TRE-a78003aa-62
0.435
MAR-TRE-a78003aa-30
0.431
MAR-TRE-a78003aa-8
0.429
MAR-TRE-a78003aa-66
0.429
MAR-TRE-a78003aa-94
0.429
MAR-TRE-a78003aa-10
0.429
MAR-TRE-a78003aa-60
0.429
MAR-TRE-a78003aa-52
0.425
MAR-TRE-a78003aa-18
0.423
MAR-TRE-a78003aa-58
0.423
MAR-TRE-a78003aa-29
0.419
MAR-TRE-a78003aa-73
0.417
MAR-TRE-a78003aa-78
0.411
MAR-TRE-a78003aa-3
0.411
MAR-TRE-a78003aa-41
0.411
MAR-TRE-a78003aa-83
0.409
MAR-TRE-a78003aa-70
0.408
MAR-TRE-a78003aa-13
0.405
MAR-TRE-a78003aa-22
0.405
MAR-TRE-a78003aa-49
0.403
MAR-TRE-a78003aa-43
0.403
MAR-TRE-a78003aa-59
0.403
MAR-TRE-a78003aa-27
0.403
MAR-TRE-a78003aa-34
0.397
MAR-TRE-a78003aa-14
0.395
WIL-NOV-066c4001-1
0.392
MAR-TRE-a78003aa-12
0.391
MAR-TRE-a78003aa-33
0.391
MAR-TRE-a78003aa-91
0.391
MAR-TRE-a78003aa-71
0.389
MAR-TRE-a78003aa-96
0.384
MAR-TRE-a78003aa-80
0.375
MAR-TRE-a78003aa-28
0.375
MAR-TRE-a78003aa-67
0.375
MAR-TRE-a78003aa-75
0.368
AAR-POS-0daf6b7e-23
0.365
MAR-TRE-a78003aa-89
0.365
MAR-TRE-a78003aa-79
0.364
MAR-TRE-a78003aa-93
0.364
MAR-TRE-a78003aa-21
0.360
MAR-TRE-a78003aa-63
0.360
MAR-TRE-a78003aa-55
0.360
MAR-TRE-a78003aa-74
0.359
MAR-TRE-a78003aa-50
0.359
MAR-TRE-a78003aa-47
0.355
MAR-TRE-a78003aa-54
0.355
MAR-TRE-a78003aa-86
0.354
MAR-TRE-a78003aa-61
0.351
MAR-TRE-a78003aa-82
0.351
MAR-TRE-a78003aa-95
0.351
MAR-TRE-a78003aa-90
0.351
MAR-TRE-a78003aa-1
0.350
MAR-TRE-a78003aa-87
0.350
MAR-TRE-a78003aa-81
0.350
MAR-TRE-a78003aa-45
0.350
MAR-TRE-a78003aa-25
0.346
MAR-TRE-a78003aa-65
0.346
MAR-TRE-a78003aa-2
0.346
MAR-TRE-a78003aa-84
0.346
MAR-TRE-a78003aa-39
0.346
MAR-TRE-a78003aa-26
0.342
MAR-TRE-a78003aa-77
0.342
MAR-TRE-a78003aa-31
0.342
MAR-TRE-a78003aa-42
0.342
MAR-TRE-a78003aa-35
0.342
MAR-TRE-a78003aa-5
0.338
MAR-TRE-a78003aa-38
0.338
MAR-TRE-a78003aa-57
0.338
MAR-TRE-a78003aa-98
0.338
MAR-TRE-a78003aa-7
0.333
MAR-TRE-a78003aa-9
0.333