Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)c2conc2CCl)c(C(=O)O)c1 |
MW: | 294.04 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.43 |
cLogP: | 2.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-a78003aa-95
0.683
MAR-TRE-a78003aa-79
0.672
MAR-TRE-a78003aa-7
0.667
MAR-TRE-a78003aa-26
0.662
MAR-TRE-a78003aa-35
0.662
MAR-TRE-a78003aa-53
0.657
MAR-TRE-a78003aa-93
0.597
MAR-TRE-a78003aa-81
0.549
MAR-TRE-a78003aa-47
0.544
MAR-TRE-a78003aa-75
0.536
MAR-TRE-a78003aa-90
0.536
MAR-TRE-a78003aa-45
0.528
MAR-TRE-a78003aa-54
0.522
MAR-TRE-a78003aa-84
0.507
MAR-TRE-a78003aa-1
0.507
MAR-TRE-a78003aa-9
0.507
MAR-TRE-a78003aa-87
0.507
MAR-TRE-a78003aa-50
0.500
MAR-TRE-a78003aa-57
0.493
MAR-TRE-a78003aa-5
0.493
MAR-TRE-a78003aa-39
0.486
MAR-TRE-a78003aa-21
0.486
MAR-TRE-a78003aa-82
0.472
MAR-TRE-a78003aa-2
0.466
MAR-TRE-a78003aa-25
0.466
MAR-TRE-a78003aa-65
0.466
MAR-TRE-a78003aa-74
0.459
MAR-TRE-a78003aa-31
0.459
MAR-TRE-a78003aa-38
0.453
MAR-TRE-a78003aa-86
0.453
MAR-TRE-a78003aa-98
0.453
MAR-TRE-a78003aa-32
0.435
MAR-TRE-a78003aa-59
0.433
MAR-TRE-a78003aa-27
0.433
MAR-TRE-a78003aa-49
0.433
MAR-TRE-a78003aa-85
0.431
MAR-TRE-a78003aa-34
0.426
MAR-TRE-a78003aa-55
0.425
MAR-TRE-a78003aa-28
0.423
MAR-TRE-a78003aa-77
0.421
MAR-TRE-a78003aa-91
0.420
MAR-TRE-a78003aa-16
0.420
MAR-TRE-a78003aa-83
0.418
MAR-TRE-a78003aa-30
0.418
MAR-TRE-a78003aa-10
0.417
MAR-TRE-a78003aa-43
0.412
MAR-TRE-a78003aa-51
0.412
MAR-TRE-a78003aa-36
0.412
MAR-TRE-a78003aa-72
0.412
MAR-TRE-a78003aa-6
0.406
MAR-TRE-a78003aa-40
0.406
MAR-TRE-a78003aa-33
0.400
MAR-TRE-a78003aa-12
0.400
MAR-TRE-a78003aa-24
0.400
MAR-TRE-a78003aa-68
0.397
MAR-TRE-a78003aa-69
0.397
MAR-TRE-a78003aa-52
0.395
MAR-TRE-a78003aa-20
0.394
MAR-TRE-a78003aa-99
0.394
MAR-TRE-a78003aa-89
0.392
MAR-TRE-a78003aa-18
0.392
MAR-TRE-a78003aa-96
0.392
MAR-TRE-a78003aa-44
0.389
MAR-TRE-a78003aa-37
0.389
MAR-TRE-a78003aa-63
0.387
MAR-TRE-a78003aa-4
0.386
MAR-TRE-a78003aa-76
0.386
MAR-TRE-a78003aa-67
0.384
MAR-TRE-a78003aa-64
0.384
MAR-TRE-a78003aa-11
0.384
MAR-TRE-a78003aa-62
0.384
MAR-TRE-a78003aa-80
0.384
MAR-TRE-a78003aa-41
0.382
MAR-TRE-a78003aa-78
0.382
MAR-TRE-a78003aa-92
0.380
MAR-TRE-a78003aa-15
0.380
MAR-TRE-a78003aa-23
0.380
MAR-TRE-a78003aa-8
0.378
MAR-TRE-a78003aa-66
0.378
MAR-TRE-a78003aa-60
0.378
MAR-TRE-a78003aa-71
0.378
MAR-TRE-a78003aa-61
0.377
MAR-TRE-a78003aa-13
0.377
MAR-TRE-a78003aa-17
0.375
MAR-TRE-a78003aa-58
0.373
MAR-TRE-a78003aa-97
0.373
MAR-TRE-a78003aa-29
0.372
MAR-TRE-a78003aa-88
0.370
MAR-TRE-a78003aa-73
0.368
MAR-TRE-a78003aa-14
0.367
MAR-TRE-a78003aa-3
0.364
MAR-TRE-a78003aa-70
0.362
MAR-TRE-a78003aa-94
0.360
MAR-TRE-a78003aa-22
0.359
MAR-TRE-a78003aa-100
0.346
MAR-TRE-a78003aa-48
0.342
MAR-TRE-a78003aa-46
0.341
MAR-TRE-a78003aa-56
0.338
MAR-TRE-a78003aa-19
0.307
MAR-TRE-92684b97-48
0.250