Molecular Properties | |
SMILES: | CC(=O)C(NC(=O)c1conc1CCl)C(=O)N(C)C |
MW: | 287.07 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 92.51 |
cLogP: | 0.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Ketones
Filter6_benzyl_halide
Ketone
Alkyl Halide
oxy-amide
MAR-TRE-a78003aa-83
0.745
MAR-TRE-a78003aa-80
0.667
MAR-TRE-a78003aa-63
0.633
MAR-TRE-a78003aa-33
0.614
MAR-TRE-a78003aa-43
0.607
MAR-TRE-a78003aa-30
0.561
MAR-TRE-a78003aa-27
0.552
MAR-TRE-a78003aa-34
0.542
MAR-TRE-a78003aa-96
0.540
MAR-TRE-a78003aa-91
0.533
MAR-TRE-a78003aa-67
0.532
MAR-TRE-a78003aa-51
0.525
MAR-TRE-a78003aa-8
0.524
MAR-TRE-a78003aa-12
0.508
MAR-TRE-a78003aa-6
0.492
MAR-TRE-a78003aa-16
0.484
MAR-TRE-a78003aa-66
0.477
MAR-TRE-a78003aa-99
0.476
MAR-TRE-a78003aa-20
0.476
MAR-TRE-a78003aa-59
0.475
MAR-TRE-a78003aa-49
0.475
MAR-TRE-a78003aa-4
0.468
MAR-TRE-a78003aa-15
0.460
MAR-TRE-a78003aa-23
0.460
MAR-TRE-a78003aa-10
0.455
MAR-TRE-a78003aa-85
0.450
MAR-TRE-a78003aa-22
0.449
MAR-TRE-a78003aa-44
0.446
MAR-TRE-a78003aa-40
0.444
MAR-TRE-a78003aa-11
0.439
MAR-TRE-a78003aa-64
0.439
MAR-TRE-a78003aa-62
0.439
MAR-TRE-a78003aa-68
0.435
MAR-TRE-a78003aa-69
0.435
MAR-TRE-a78003aa-3
0.435
MAR-TRE-a78003aa-60
0.433
MAR-TRE-a78003aa-32
0.431
MAR-TRE-a78003aa-72
0.429
MAR-TRE-a78003aa-13
0.429
MAR-TRE-a78003aa-36
0.429
MAR-TRE-a78003aa-89
0.426
MAR-TRE-a78003aa-88
0.424
MAR-TRE-a78003aa-37
0.424
MAR-TRE-a78003aa-2
0.423
MAR-TRE-a78003aa-76
0.422
MAR-TRE-a78003aa-28
0.418
MAR-TRE-a78003aa-24
0.415
MAR-TRE-a78003aa-92
0.415
MAR-TRE-a78003aa-41
0.414
MAR-TRE-a78003aa-94
0.412
MAR-TRE-a78003aa-17
0.409
MAR-TRE-a78003aa-61
0.408
MAR-TRE-a78003aa-97
0.406
MAR-TRE-a78003aa-18
0.406
MAR-TRE-a78003aa-58
0.406
MAR-TRE-a78003aa-93
0.403
MAR-TRE-a78003aa-25
0.403
MAR-TRE-a78003aa-100
0.394
MAR-TRE-a78003aa-52
0.389
MAR-TRE-a78003aa-48
0.389
MAR-TRE-a78003aa-95
0.389
MAR-TRE-a78003aa-81
0.387
MAR-TRE-a78003aa-87
0.387
MAR-TRE-a78003aa-65
0.384
MAR-TRE-a78003aa-53
0.382
MAR-TRE-a78003aa-55
0.380
MAR-TRE-a78003aa-21
0.380
MAR-TRE-a78003aa-73
0.380
MAR-TRE-a78003aa-42
0.378
MAR-TRE-a78003aa-26
0.378
MAR-TRE-a78003aa-14
0.378
MAR-TRE-a78003aa-47
0.375
MAR-TRE-a78003aa-54
0.375
MAR-TRE-a78003aa-78
0.375
MAR-TRE-a78003aa-5
0.373
MAR-TRE-a78003aa-82
0.370
MAR-TRE-a78003aa-90
0.370
MAR-TRE-a78003aa-75
0.370
MAR-TRE-a78003aa-7
0.368
MAR-TRE-a78003aa-9
0.368
MAR-TRE-a78003aa-45
0.368
MAR-TRE-a78003aa-56
0.365
MAR-TRE-a78003aa-39
0.365
MAR-TRE-a78003aa-79
0.365
MAR-TRE-a78003aa-84
0.365
MAR-TRE-a78003aa-29
0.365
MAR-TRE-a78003aa-50
0.360
MAR-TRE-a78003aa-74
0.360
MAR-TRE-a78003aa-77
0.360
MAR-TRE-a78003aa-35
0.360
MAR-TRE-a78003aa-31
0.360
MAR-TRE-a78003aa-70
0.355
MAR-TRE-a78003aa-86
0.355
MAR-TRE-a78003aa-98
0.355
MAR-TRE-a78003aa-38
0.355
MAR-TRE-a78003aa-57
0.355
MAR-TRE-a78003aa-1
0.351
MAR-TRE-a78003aa-46
0.351
MAR-TRE-a78003aa-19
0.346
MAR-TRE-87acfbcc-23
0.268