Molecular Properties | |
SMILES: | O=C(O)CCNC(=O)c1conc1CCl |
MW: | 232.03 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 92.43 |
cLogP: | 0.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-a78003aa-76
0.735
MAR-TRE-a78003aa-37
0.692
MAR-TRE-a78003aa-44
0.692
MAR-TRE-a78003aa-68
0.660
MAR-TRE-a78003aa-18
0.655
MAR-TRE-a78003aa-85
0.653
MAR-TRE-a78003aa-29
0.638
MAR-TRE-a78003aa-92
0.623
MAR-TRE-a78003aa-69
0.596
MAR-TRE-a78003aa-62
0.589
MAR-TRE-a78003aa-36
0.585
MAR-TRE-a78003aa-60
0.579
MAR-TRE-a78003aa-94
0.579
MAR-TRE-a78003aa-58
0.569
MAR-TRE-a78003aa-16
0.564
MAR-TRE-a78003aa-24
0.564
MAR-TRE-a78003aa-51
0.556
MAR-TRE-a78003aa-20
0.554
MAR-TRE-a78003aa-32
0.554
MAR-TRE-a78003aa-41
0.550
MAR-TRE-a78003aa-6
0.545
MAR-TRE-a78003aa-4
0.545
MAR-TRE-a78003aa-40
0.545
MAR-TRE-a78003aa-70
0.540
MAR-TRE-a78003aa-15
0.536
MAR-TRE-a78003aa-23
0.536
MAR-TRE-a78003aa-11
0.534
MAR-TRE-a78003aa-99
0.526
MAR-TRE-a78003aa-17
0.526
MAR-TRE-a78003aa-88
0.517
MAR-TRE-a78003aa-12
0.509
MAR-TRE-a78003aa-91
0.509
MAR-TRE-a78003aa-64
0.508
MAR-TRE-a78003aa-10
0.500
MAR-TRE-a78003aa-78
0.500
MAR-TRE-a78003aa-27
0.500
MAR-TRE-a78003aa-66
0.500
MAR-TRE-a78003aa-8
0.500
MAR-TRE-a78003aa-59
0.500
MAR-TRE-a78003aa-97
0.492
MAR-TRE-a78003aa-73
0.484
MAR-TRE-a78003aa-30
0.482
MAR-TRE-a78003aa-83
0.482
MAR-TRE-a78003aa-3
0.476
MAR-TRE-a78003aa-100
0.476
MAR-TRE-a78003aa-49
0.474
MAR-TRE-a78003aa-43
0.474
MAR-TRE-a78003aa-19
0.471
MAR-TRE-a78003aa-13
0.469
MAR-TRE-a78003aa-52
0.469
MAR-TRE-a78003aa-22
0.469
MAR-TRE-a78003aa-48
0.469
MAR-TRE-a78003aa-34
0.466
MAR-TRE-a78003aa-56
0.462
MAR-TRE-a78003aa-33
0.458
MAR-TRE-a78003aa-50
0.455
MAR-TRE-a78003aa-14
0.455
MAR-TRE-a78003aa-46
0.441
MAR-TRE-a78003aa-21
0.438
MAR-TRE-a78003aa-80
0.435
MAR-TRE-a78003aa-67
0.435
MAR-TRE-a78003aa-28
0.435
MAR-TRE-a78003aa-54
0.431
MAR-TRE-a78003aa-71
0.429
MAR-TRE-a78003aa-75
0.424
MAR-TRE-a78003aa-82
0.424
MAR-TRE-a78003aa-96
0.422
MAR-TRE-a78003aa-89
0.422
MAR-TRE-a78003aa-1
0.420
MAR-TRE-a78003aa-79
0.418
MAR-TRE-a78003aa-39
0.418
MAR-TRE-a78003aa-84
0.418
MAR-TRE-a78003aa-63
0.415
MAR-TRE-a78003aa-55
0.415
MAR-TRE-a78003aa-42
0.412
MAR-TRE-a78003aa-26
0.412
MAR-TRE-a78003aa-35
0.412
MAR-TRE-a78003aa-47
0.409
MAR-TRE-a78003aa-5
0.406
MAR-TRE-a78003aa-57
0.406
MAR-TRE-a78003aa-61
0.403
MAR-TRE-a78003aa-90
0.403
MAR-TRE-a78003aa-95
0.403
MAR-TRE-a78003aa-81
0.400
MAR-TRE-a78003aa-7
0.400
MAR-TRE-a78003aa-93
0.397
MAR-TRE-a78003aa-25
0.397
MAR-TRE-a78003aa-65
0.397
MAR-TRE-a78003aa-2
0.397
MAR-TRE-a78003aa-53
0.394
MAR-TRE-a78003aa-74
0.391
MAR-TRE-a78003aa-31
0.391
MAR-TRE-a78003aa-77
0.391
MAR-TRE-a78003aa-86
0.386
MAR-TRE-a78003aa-38
0.386
MAR-TRE-a78003aa-98
0.386
MAR-TRE-a78003aa-45
0.380
MAR-TRE-a78003aa-9
0.380
MAR-TRE-a78003aa-87
0.380
MAR-TRE-423310b6-89
0.306