Molecular Properties | |
SMILES: | CC(C)C(Nc1c[nH]nc1CCl)C(=O)O |
MW: | 231.08 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 78.01 |
cLogP: | 1.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-423310b6-49
0.766
MAR-TRE-423310b6-83
0.735
MAR-TRE-423310b6-22
0.714
MAR-TRE-423310b6-23
0.673
MAR-TRE-423310b6-42
0.600
MAR-TRE-423310b6-72
0.588
MAR-TRE-423310b6-7
0.566
MAR-TRE-423310b6-29
0.564
MAR-TRE-423310b6-82
0.564
MAR-TRE-423310b6-26
0.558
MAR-TRE-423310b6-36
0.556
MAR-TRE-423310b6-9
0.545
MAR-TRE-423310b6-57
0.537
MAR-TRE-423310b6-24
0.536
MAR-TRE-423310b6-45
0.536
MAR-TRE-423310b6-16
0.526
MAR-TRE-423310b6-56
0.525
MAR-TRE-423310b6-73
0.519
MAR-TRE-423310b6-39
0.517
MAR-TRE-423310b6-88
0.509
MAR-TRE-423310b6-53
0.500
MAR-TRE-423310b6-31
0.484
MAR-TRE-423310b6-68
0.476
MAR-TRE-423310b6-27
0.468
MAR-TRE-423310b6-62
0.468
MAR-TRE-423310b6-21
0.460
MAR-TRE-423310b6-89
0.455
MAR-TRE-423310b6-71
0.424
MAR-TRE-423310b6-19
0.415
MAR-TRE-423310b6-85
0.413
MAR-TRE-87acfbcc-36
0.404
MAR-TRE-423310b6-47
0.403
MAR-TRE-423310b6-41
0.400
MAR-TRE-423310b6-40
0.393
MAR-TRE-423310b6-17
0.393
MAR-TRE-423310b6-55
0.386
MAR-TRE-423310b6-14
0.381
MAR-TRE-423310b6-94
0.381
MAR-TRE-423310b6-69
0.377
MAR-TRE-423310b6-60
0.375
MAR-TRE-423310b6-32
0.369
MAR-TRE-423310b6-15
0.367
MAR-TRE-423310b6-91
0.355
MAR-TRE-423310b6-58
0.344
MAR-TRE-423310b6-87
0.344
MAR-TRE-423310b6-20
0.344
MAR-TRE-423310b6-8
0.333
MAR-TRE-423310b6-76
0.333
MAR-TRE-87acfbcc-47
0.333
MAR-TRE-423310b6-86
0.333
MAR-TRE-423310b6-59
0.328
MAR-TRE-87acfbcc-38
0.328
MAR-TRE-85681e92-92
0.321
MAR-TRE-423310b6-67
0.319
MAR-TRE-423310b6-50
0.318
MAR-TRE-423310b6-28
0.317
MAR-TRE-423310b6-30
0.314
MAR-TRE-423310b6-81
0.312
MAR-TRE-423310b6-33
0.312
MAR-TRE-423310b6-75
0.309
MAR-TRE-423310b6-65
0.308
MAR-TRE-423310b6-92
0.306
MAR-TRE-423310b6-93
0.304
MAR-TRE-423310b6-64
0.304
MAR-TRE-423310b6-46
0.303
MAR-TRE-87acfbcc-79
0.300
MAR-TRE-423310b6-25
0.293
MAR-TRE-423310b6-13
0.290
MAR-TRE-423310b6-70
0.290
MAR-TRE-423310b6-18
0.288
MAR-TRE-423310b6-37
0.286
MAR-TRE-87acfbcc-35
0.286
MAR-TRE-423310b6-79
0.284
MAR-TRE-423310b6-80
0.284
MAR-TRE-423310b6-66
0.278
MAR-TRE-a78003aa-27
0.277
MAR-TRE-87acfbcc-7
0.277
MAR-TRE-423310b6-77
0.275
MAR-TRE-423310b6-61
0.270
MAR-TRE-87acfbcc-41
0.270
MAR-TRE-87acfbcc-21
0.265
MAR-TRE-87acfbcc-20
0.258
MAR-TRE-87acfbcc-15
0.258
MAR-TRE-423310b6-10
0.256
MAR-TRE-87acfbcc-12
0.254
MAR-TRE-423310b6-51
0.254
MAR-TRE-8a25d817-76
0.254
MAR-TRE-87acfbcc-67
0.254
MAR-TRE-a78003aa-8
0.254
MAR-TRE-87acfbcc-22
0.254
MAR-TRE-423310b6-35
0.250
MAR-TRE-423310b6-44
0.250
MAR-TRE-87acfbcc-86
0.250
MAR-TRE-423310b6-48
0.250
MAR-TRE-a78003aa-16
0.250
MAR-TRE-a78003aa-91
0.250
MAR-TRE-a78003aa-20
0.246
MAR-TRE-423310b6-90
0.244
MAR-TRE-87acfbcc-25
0.243
MAR-TRE-87acfbcc-16
0.243