Molecular Properties | |
SMILES: | CC(=O)C(NC(=O)c1conc1CCl)C(C)=O |
MW: | 258.04 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 89.27 |
cLogP: | 0.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Ketones
Filter6_benzyl_halide
Ketone
Alkyl Halide
MAR-TRE-a78003aa-80
0.760
MAR-TRE-a78003aa-71
0.745
MAR-TRE-a78003aa-63
0.717
MAR-TRE-a78003aa-33
0.700
MAR-TRE-a78003aa-43
0.694
MAR-TRE-a78003aa-30
0.640
MAR-TRE-a78003aa-27
0.627
MAR-TRE-a78003aa-34
0.615
MAR-TRE-a78003aa-91
0.604
MAR-TRE-a78003aa-12
0.574
MAR-TRE-a78003aa-67
0.571
MAR-TRE-a78003aa-51
0.566
MAR-TRE-a78003aa-6
0.556
MAR-TRE-a78003aa-96
0.552
MAR-TRE-a78003aa-16
0.545
MAR-TRE-a78003aa-59
0.537
MAR-TRE-a78003aa-49
0.537
MAR-TRE-a78003aa-20
0.536
MAR-TRE-a78003aa-99
0.536
MAR-TRE-a78003aa-8
0.534
MAR-TRE-a78003aa-66
0.534
MAR-TRE-a78003aa-4
0.527
MAR-TRE-a78003aa-15
0.518
MAR-TRE-a78003aa-23
0.518
MAR-TRE-a78003aa-85
0.509
MAR-TRE-a78003aa-10
0.508
MAR-TRE-a78003aa-44
0.500
MAR-TRE-a78003aa-22
0.500
MAR-TRE-a78003aa-40
0.500
MAR-TRE-a78003aa-64
0.492
MAR-TRE-a78003aa-62
0.492
MAR-TRE-a78003aa-11
0.492
MAR-TRE-a78003aa-69
0.491
MAR-TRE-a78003aa-68
0.491
MAR-TRE-a78003aa-3
0.484
MAR-TRE-a78003aa-60
0.483
MAR-TRE-a78003aa-32
0.483
MAR-TRE-a78003aa-72
0.482
MAR-TRE-a78003aa-36
0.482
MAR-TRE-a78003aa-13
0.476
MAR-TRE-a78003aa-89
0.475
MAR-TRE-a78003aa-37
0.475
MAR-TRE-a78003aa-76
0.474
MAR-TRE-a78003aa-2
0.469
MAR-TRE-a78003aa-28
0.467
MAR-TRE-a78003aa-24
0.466
MAR-TRE-a78003aa-92
0.466
MAR-TRE-a78003aa-41
0.460
MAR-TRE-a78003aa-94
0.459
MAR-TRE-a78003aa-17
0.458
MAR-TRE-a78003aa-61
0.453
MAR-TRE-a78003aa-97
0.452
MAR-TRE-a78003aa-58
0.452
MAR-TRE-a78003aa-18
0.452
MAR-TRE-a78003aa-88
0.450
MAR-TRE-a78003aa-93
0.446
MAR-TRE-a78003aa-95
0.431
MAR-TRE-a78003aa-52
0.431
MAR-TRE-a78003aa-87
0.426
MAR-TRE-a78003aa-56
0.424
MAR-TRE-a78003aa-55
0.422
MAR-TRE-a78003aa-21
0.422
MAR-TRE-a78003aa-73
0.422
MAR-TRE-a78003aa-53
0.420
MAR-TRE-a78003aa-14
0.418
MAR-TRE-a78003aa-42
0.418
MAR-TRE-a78003aa-78
0.415
MAR-TRE-a78003aa-100
0.415
MAR-TRE-a78003aa-54
0.415
MAR-TRE-a78003aa-47
0.415
MAR-TRE-a78003aa-5
0.412
MAR-TRE-a78003aa-75
0.409
MAR-TRE-a78003aa-82
0.409
MAR-TRE-a78003aa-48
0.409
MAR-TRE-a78003aa-90
0.409
MAR-TRE-a78003aa-81
0.406
MAR-TRE-a78003aa-9
0.406
MAR-TRE-a78003aa-45
0.406
MAR-TRE-a78003aa-7
0.406
MAR-TRE-a78003aa-79
0.403
MAR-TRE-a78003aa-29
0.403
MAR-TRE-a78003aa-39
0.403
MAR-TRE-a78003aa-65
0.403
MAR-TRE-a78003aa-25
0.403
MAR-TRE-a78003aa-84
0.403
MAR-TRE-a78003aa-77
0.397
MAR-TRE-a78003aa-35
0.397
MAR-TRE-a78003aa-26
0.397
MAR-TRE-a78003aa-31
0.397
MAR-TRE-a78003aa-50
0.397
MAR-TRE-a78003aa-74
0.397
MAR-TRE-a78003aa-70
0.391
MAR-TRE-a78003aa-38
0.391
MAR-TRE-a78003aa-57
0.391
MAR-TRE-a78003aa-86
0.391
MAR-TRE-a78003aa-98
0.391
MAR-TRE-a78003aa-1
0.386
MAR-TRE-a78003aa-46
0.386
MAR-TRE-a78003aa-19
0.360
MAR-TRE-423310b6-26
0.266