Molecular Properties | |
SMILES: | O=C(Nc1ccc(Cl)cc1O)c1conc1CCl |
MW: | 285.99 |
Fraction sp3: | 0.09 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 75.36 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
catechol
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-a78003aa-95
0.689
MAR-TRE-a78003aa-90
0.689
MAR-TRE-a78003aa-93
0.651
MAR-TRE-a78003aa-79
0.651
MAR-TRE-a78003aa-81
0.621
MAR-TRE-a78003aa-21
0.603
MAR-TRE-a78003aa-54
0.569
MAR-TRE-a78003aa-5
0.559
MAR-TRE-a78003aa-84
0.552
MAR-TRE-a78003aa-39
0.552
MAR-TRE-a78003aa-45
0.551
MAR-TRE-a78003aa-42
0.544
MAR-TRE-a78003aa-25
0.529
MAR-TRE-a78003aa-7
0.529
MAR-TRE-a78003aa-1
0.529
MAR-TRE-a78003aa-26
0.522
MAR-TRE-a78003aa-31
0.522
MAR-TRE-a78003aa-74
0.522
MAR-TRE-a78003aa-35
0.522
MAR-TRE-a78003aa-53
0.521
MAR-TRE-a78003aa-75
0.515
MAR-TRE-a78003aa-9
0.507
MAR-TRE-a78003aa-87
0.507
MAR-TRE-a78003aa-50
0.500
MAR-TRE-a78003aa-38
0.493
MAR-TRE-a78003aa-86
0.493
MAR-TRE-a78003aa-57
0.493
MAR-TRE-a78003aa-65
0.486
MAR-TRE-a78003aa-55
0.485
MAR-TRE-a78003aa-98
0.472
MAR-TRE-a78003aa-82
0.451
MAR-TRE-a78003aa-2
0.444
MAR-TRE-a78003aa-92
0.439
MAR-TRE-a78003aa-77
0.438
MAR-TRE-a78003aa-49
0.431
MAR-TRE-a78003aa-27
0.431
MAR-TRE-a78003aa-85
0.429
MAR-TRE-a78003aa-16
0.418
MAR-TRE-a78003aa-69
0.415
MAR-TRE-a78003aa-68
0.415
MAR-TRE-a78003aa-83
0.415
MAR-TRE-a78003aa-30
0.415
MAR-TRE-a78003aa-43
0.409
MAR-TRE-a78003aa-51
0.409
MAR-TRE-a78003aa-72
0.409
MAR-TRE-a78003aa-59
0.409
MAR-TRE-a78003aa-36
0.409
MAR-TRE-a78003aa-37
0.406
MAR-TRE-a78003aa-40
0.403
MAR-TRE-a78003aa-34
0.403
MAR-TRE-a78003aa-4
0.403
MAR-TRE-a78003aa-6
0.403
MAR-TRE-a78003aa-76
0.403
MAR-TRE-a78003aa-28
0.400
MAR-TRE-a78003aa-12
0.397
MAR-TRE-a78003aa-23
0.397
MAR-TRE-a78003aa-15
0.397
MAR-TRE-a78003aa-24
0.397
MAR-TRE-a78003aa-33
0.397
MAR-TRE-a78003aa-91
0.397
MAR-TRE-a78003aa-70
0.395
MAR-TRE-a78003aa-10
0.394
MAR-TRE-a78003aa-99
0.391
MAR-TRE-a78003aa-17
0.391
MAR-TRE-a78003aa-32
0.391
MAR-TRE-a78003aa-20
0.391
MAR-TRE-a78003aa-88
0.386
MAR-TRE-a78003aa-44
0.386
MAR-TRE-a78003aa-11
0.380
MAR-TRE-a78003aa-67
0.380
MAR-TRE-a78003aa-62
0.380
MAR-TRE-a78003aa-80
0.380
MAR-TRE-a78003aa-64
0.380
MAR-TRE-a78003aa-78
0.378
MAR-TRE-a78003aa-66
0.375
MAR-TRE-a78003aa-71
0.375
MAR-TRE-a78003aa-94
0.375
MAR-TRE-a78003aa-60
0.375
MAR-TRE-a78003aa-8
0.375
MAR-TRE-a78003aa-52
0.373
MAR-TRE-a78003aa-46
0.372
MAR-TRE-a78003aa-58
0.370
MAR-TRE-a78003aa-96
0.370
MAR-TRE-a78003aa-18
0.370
MAR-TRE-a78003aa-97
0.370
MAR-TRE-a78003aa-89
0.370
MAR-TRE-a78003aa-29
0.368
MAR-TRE-a78003aa-63
0.365
MAR-TRE-a78003aa-73
0.365
MAR-TRE-a78003aa-3
0.360
MAR-TRE-a78003aa-41
0.360
MAR-TRE-a78003aa-100
0.360
MAR-TRE-a78003aa-13
0.355
MAR-TRE-a78003aa-22
0.355
MAR-TRE-a78003aa-48
0.355
MAR-TRE-a78003aa-61
0.355
MAR-TRE-a78003aa-56
0.351
MAR-TRE-a78003aa-14
0.346
MAR-TRE-a78003aa-19
0.333
CHR-SOS-7098f804-4
0.315