Molecular Properties | |
SMILES: | O=C(Nc1cccc(C(=O)O)c1O)c1conc1CCl |
MW: | 296.02 |
Fraction sp3: | 0.08 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 112.66 |
cLogP: | 2.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
catechol
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-a78003aa-87
0.636
MAR-TRE-a78003aa-50
0.582
MAR-TRE-a78003aa-57
0.574
MAR-TRE-a78003aa-35
0.559
MAR-TRE-a78003aa-79
0.544
MAR-TRE-a78003aa-7
0.543
MAR-TRE-a78003aa-42
0.536
MAR-TRE-a78003aa-26
0.536
MAR-TRE-a78003aa-82
0.529
MAR-TRE-a78003aa-98
0.529
MAR-TRE-a78003aa-65
0.522
MAR-TRE-a78003aa-54
0.515
MAR-TRE-a78003aa-47
0.515
MAR-TRE-a78003aa-74
0.514
MAR-TRE-a78003aa-53
0.514
MAR-TRE-a78003aa-90
0.507
MAR-TRE-a78003aa-95
0.507
MAR-TRE-a78003aa-1
0.500
MAR-TRE-a78003aa-21
0.500
MAR-TRE-a78003aa-25
0.500
MAR-TRE-a78003aa-39
0.500
MAR-TRE-a78003aa-84
0.500
MAR-TRE-a78003aa-31
0.493
MAR-TRE-a78003aa-5
0.486
MAR-TRE-a78003aa-86
0.486
MAR-TRE-a78003aa-38
0.486
MAR-TRE-a78003aa-93
0.479
MAR-TRE-a78003aa-55
0.478
MAR-TRE-a78003aa-45
0.459
MAR-TRE-a78003aa-81
0.459
MAR-TRE-a78003aa-9
0.459
MAR-TRE-a78003aa-85
0.444
MAR-TRE-a78003aa-16
0.433
MAR-TRE-a78003aa-30
0.431
MAR-TRE-a78003aa-32
0.426
MAR-TRE-a78003aa-27
0.424
MAR-TRE-a78003aa-59
0.424
MAR-TRE-a78003aa-36
0.424
MAR-TRE-a78003aa-72
0.424
MAR-TRE-a78003aa-11
0.414
MAR-TRE-a78003aa-77
0.413
MAR-TRE-a78003aa-12
0.412
MAR-TRE-a78003aa-24
0.412
MAR-TRE-a78003aa-91
0.412
MAR-TRE-a78003aa-78
0.411
MAR-TRE-a78003aa-68
0.409
MAR-TRE-a78003aa-69
0.409
MAR-TRE-a78003aa-83
0.409
MAR-TRE-a78003aa-20
0.406
MAR-TRE-a78003aa-17
0.406
MAR-TRE-a78003aa-49
0.403
MAR-TRE-a78003aa-51
0.403
MAR-TRE-a78003aa-43
0.403
MAR-TRE-a78003aa-29
0.400
MAR-TRE-a78003aa-88
0.400
MAR-TRE-a78003aa-2
0.400
MAR-TRE-a78003aa-34
0.397
MAR-TRE-a78003aa-76
0.397
MAR-TRE-a78003aa-6
0.397
MAR-TRE-a78003aa-4
0.397
MAR-TRE-a78003aa-40
0.397
MAR-TRE-a78003aa-15
0.391
MAR-TRE-a78003aa-23
0.391
MAR-TRE-a78003aa-92
0.391
MAR-TRE-a78003aa-33
0.391
MAR-TRE-a78003aa-70
0.390
MAR-TRE-a78003aa-10
0.389
MAR-TRE-a78003aa-99
0.386
MAR-TRE-a78003aa-37
0.380
MAR-TRE-a78003aa-44
0.380
MAR-TRE-a78003aa-64
0.375
MAR-TRE-a78003aa-80
0.375
MAR-TRE-a78003aa-62
0.375
MAR-TRE-a78003aa-67
0.375
MAR-TRE-a78003aa-28
0.375
MAR-TRE-a78003aa-100
0.373
MAR-TRE-a78003aa-60
0.370
MAR-TRE-a78003aa-94
0.370
MAR-TRE-a78003aa-66
0.370
MAR-TRE-a78003aa-8
0.370
MAR-TRE-a78003aa-71
0.370
MAR-TRE-a78003aa-48
0.368
MAR-TRE-a78003aa-46
0.367
MAR-TRE-a78003aa-89
0.365
MAR-TRE-a78003aa-58
0.365
MAR-TRE-a78003aa-18
0.365
MAR-TRE-a78003aa-97
0.365
MAR-TRE-a78003aa-96
0.365
MAR-TRE-a78003aa-56
0.364
MAR-TRE-a78003aa-63
0.360
MAR-TRE-a78003aa-73
0.360
MAR-TRE-a78003aa-3
0.355
MAR-TRE-a78003aa-41
0.355
MAR-TRE-a78003aa-13
0.351
MAR-TRE-a78003aa-52
0.351
MAR-TRE-a78003aa-61
0.351
MAR-TRE-a78003aa-22
0.351
MAR-TRE-a78003aa-14
0.342
MAR-TRE-a78003aa-19
0.314
MAR-TRE-423310b6-42
0.247