Molecular Properties | |
SMILES: | O=C1NCC(CNC(=O)c2conc2CCl)O1 |
MW: | 259.04 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 93.46 |
cLogP: | 0.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-a78003aa-100
0.576
MAR-TRE-a78003aa-88
0.571
MAR-TRE-a78003aa-48
0.567
MAR-TRE-a78003aa-68
0.492
MAR-TRE-a78003aa-36
0.484
MAR-TRE-a78003aa-85
0.484
MAR-TRE-a78003aa-11
0.471
MAR-TRE-a78003aa-69
0.469
MAR-TRE-a78003aa-51
0.462
MAR-TRE-a78003aa-72
0.462
MAR-TRE-a78003aa-76
0.455
MAR-TRE-a78003aa-6
0.455
MAR-TRE-a78003aa-4
0.455
MAR-TRE-a78003aa-40
0.455
MAR-TRE-a78003aa-64
0.449
MAR-TRE-a78003aa-16
0.448
MAR-TRE-a78003aa-92
0.448
MAR-TRE-a78003aa-24
0.448
MAR-TRE-a78003aa-15
0.448
MAR-TRE-a78003aa-23
0.448
MAR-TRE-a78003aa-20
0.441
MAR-TRE-a78003aa-32
0.441
MAR-TRE-a78003aa-99
0.441
MAR-TRE-a78003aa-17
0.441
MAR-TRE-a78003aa-97
0.437
MAR-TRE-a78003aa-44
0.435
MAR-TRE-a78003aa-37
0.435
MAR-TRE-a78003aa-62
0.429
MAR-TRE-a78003aa-19
0.425
MAR-TRE-a78003aa-3
0.425
MAR-TRE-a78003aa-30
0.424
MAR-TRE-a78003aa-83
0.424
MAR-TRE-a78003aa-66
0.423
MAR-TRE-a78003aa-8
0.423
MAR-TRE-a78003aa-10
0.423
MAR-TRE-a78003aa-60
0.423
MAR-TRE-a78003aa-94
0.423
MAR-TRE-a78003aa-52
0.419
MAR-TRE-a78003aa-58
0.417
MAR-TRE-a78003aa-18
0.417
MAR-TRE-a78003aa-73
0.411
MAR-TRE-a78003aa-41
0.405
MAR-TRE-a78003aa-78
0.405
MAR-TRE-a78003aa-70
0.403
MAR-TRE-a78003aa-13
0.400
MAR-TRE-a78003aa-22
0.400
MAR-TRE-a78003aa-49
0.397
MAR-TRE-a78003aa-59
0.397
MAR-TRE-a78003aa-43
0.397
MAR-TRE-a78003aa-27
0.397
MAR-TRE-a78003aa-29
0.395
MAR-TRE-a78003aa-34
0.391
MAR-TRE-a78003aa-14
0.390
MAR-TRE-a78003aa-80
0.389
MAR-TRE-a78003aa-12
0.386
MAR-TRE-a78003aa-33
0.386
MAR-TRE-a78003aa-91
0.386
MAR-TRE-a78003aa-46
0.380
MAR-TRE-a78003aa-55
0.373
MAR-TRE-a78003aa-74
0.372
MAR-TRE-a78003aa-67
0.370
MAR-TRE-a78003aa-28
0.370
MAR-TRE-a78003aa-86
0.367
MAR-TRE-a78003aa-71
0.365
MAR-TRE-a78003aa-75
0.364
MAR-TRE-a78003aa-82
0.364
MAR-TRE-a78003aa-81
0.362
MAR-TRE-a78003aa-87
0.362
MAR-TRE-a78003aa-45
0.362
MAR-TRE-a78003aa-96
0.360
MAR-TRE-a78003aa-89
0.360
MAR-TRE-a78003aa-25
0.359
MAR-TRE-a78003aa-65
0.359
MAR-TRE-a78003aa-53
0.358
MAR-TRE-a78003aa-21
0.355
MAR-TRE-a78003aa-63
0.355
MAR-TRE-a78003aa-31
0.354
MAR-TRE-a78003aa-50
0.354
MAR-TRE-a78003aa-54
0.351
MAR-TRE-a78003aa-47
0.351
MAR-TRE-a78003aa-38
0.350
MAR-TRE-a78003aa-98
0.350
MAR-TRE-a78003aa-5
0.350
MAR-TRE-a78003aa-61
0.346
MAR-TRE-a78003aa-90
0.346
MAR-TRE-a78003aa-95
0.346
MAR-TRE-a78003aa-7
0.346
MAR-TRE-a78003aa-9
0.346
MAR-TRE-a78003aa-79
0.342
MAR-TRE-a78003aa-93
0.342
MAR-TRE-a78003aa-39
0.342
MAR-TRE-a78003aa-84
0.342
MAR-TRE-a78003aa-2
0.342
MAR-TRE-a78003aa-26
0.338
MAR-TRE-a78003aa-35
0.338
MAR-TRE-a78003aa-77
0.338
MAR-TRE-a78003aa-42
0.338
MAR-TRE-a78003aa-57
0.333
MAR-TRE-a78003aa-1
0.329
MAR-TRE-e82e6c98-48
0.250