Molecular Properties | |
SMILES: | CC(=O)C(C)NC(=O)c1conc1CCl |
MW: | 230.05 |
Fraction sp3: | 0.44 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 72.2 |
cLogP: | 1.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
Filter6_benzyl_halide
Ketone
Alkyl Halide
MAR-TRE-a78003aa-27
0.750
MAR-TRE-a78003aa-34
0.735
MAR-TRE-a78003aa-83
0.694
MAR-TRE-a78003aa-30
0.660
MAR-TRE-a78003aa-80
0.618
MAR-TRE-a78003aa-71
0.607
MAR-TRE-a78003aa-33
0.593
MAR-TRE-a78003aa-91
0.593
MAR-TRE-a78003aa-63
0.586
MAR-TRE-a78003aa-12
0.564
MAR-TRE-a78003aa-67
0.561
MAR-TRE-a78003aa-51
0.556
MAR-TRE-a78003aa-96
0.542
MAR-TRE-a78003aa-8
0.525
MAR-TRE-a78003aa-6
0.518
MAR-TRE-a78003aa-16
0.509
MAR-TRE-a78003aa-59
0.500
MAR-TRE-a78003aa-20
0.500
MAR-TRE-a78003aa-99
0.500
MAR-TRE-a78003aa-85
0.500
MAR-TRE-a78003aa-49
0.500
MAR-TRE-a78003aa-4
0.491
MAR-TRE-a78003aa-40
0.491
MAR-TRE-a78003aa-62
0.483
MAR-TRE-a78003aa-92
0.483
MAR-TRE-a78003aa-15
0.483
MAR-TRE-a78003aa-23
0.483
MAR-TRE-a78003aa-68
0.482
MAR-TRE-a78003aa-69
0.482
MAR-TRE-a78003aa-66
0.475
MAR-TRE-a78003aa-10
0.475
MAR-TRE-a78003aa-60
0.475
MAR-TRE-a78003aa-32
0.475
MAR-TRE-a78003aa-36
0.474
MAR-TRE-a78003aa-72
0.474
MAR-TRE-a78003aa-22
0.469
MAR-TRE-a78003aa-44
0.467
MAR-TRE-a78003aa-37
0.467
MAR-TRE-a78003aa-76
0.466
MAR-TRE-a78003aa-2
0.462
MAR-TRE-a78003aa-64
0.459
MAR-TRE-a78003aa-11
0.459
MAR-TRE-a78003aa-28
0.459
MAR-TRE-a78003aa-24
0.458
MAR-TRE-a78003aa-41
0.453
MAR-TRE-a78003aa-3
0.453
MAR-TRE-a78003aa-94
0.452
MAR-TRE-a78003aa-17
0.450
MAR-TRE-a78003aa-52
0.446
MAR-TRE-a78003aa-13
0.446
MAR-TRE-a78003aa-89
0.444
MAR-TRE-a78003aa-18
0.444
MAR-TRE-a78003aa-58
0.444
MAR-TRE-a78003aa-97
0.444
MAR-TRE-a78003aa-88
0.443
MAR-TRE-a78003aa-93
0.439
MAR-TRE-a78003aa-84
0.439
MAR-TRE-a78003aa-55
0.438
MAR-TRE-a78003aa-54
0.431
MAR-TRE-a78003aa-5
0.426
MAR-TRE-a78003aa-61
0.424
MAR-TRE-a78003aa-82
0.424
MAR-TRE-a78003aa-95
0.424
MAR-TRE-a78003aa-39
0.418
MAR-TRE-a78003aa-21
0.415
MAR-TRE-a78003aa-73
0.415
MAR-TRE-a78003aa-77
0.412
MAR-TRE-a78003aa-14
0.412
MAR-TRE-a78003aa-35
0.412
MAR-TRE-a78003aa-42
0.412
MAR-TRE-a78003aa-100
0.409
MAR-TRE-a78003aa-47
0.409
MAR-TRE-a78003aa-78
0.409
MAR-TRE-a78003aa-98
0.406
MAR-TRE-a78003aa-75
0.403
MAR-TRE-a78003aa-48
0.403
MAR-TRE-a78003aa-90
0.403
MAR-TRE-a78003aa-45
0.400
MAR-TRE-a78003aa-7
0.400
MAR-TRE-a78003aa-1
0.400
MAR-TRE-a78003aa-9
0.400
MAR-TRE-a78003aa-81
0.400
MAR-TRE-a78003aa-87
0.400
MAR-TRE-a78003aa-56
0.397
MAR-TRE-a78003aa-25
0.397
MAR-TRE-a78003aa-65
0.397
MAR-TRE-a78003aa-79
0.397
MAR-TRE-a78003aa-29
0.397
MAR-TRE-a78003aa-53
0.394
MAR-TRE-a78003aa-74
0.391
MAR-TRE-a78003aa-31
0.391
MAR-TRE-a78003aa-26
0.391
MAR-TRE-a78003aa-50
0.391
MAR-TRE-a78003aa-38
0.386
MAR-TRE-a78003aa-86
0.386
MAR-TRE-a78003aa-70
0.386
MAR-TRE-a78003aa-57
0.386
MAR-TRE-a78003aa-46
0.380
MAR-TRE-a78003aa-19
0.355
MAR-TRE-87acfbcc-79
0.295