Molecular Properties | |
SMILES: | Nc1cc(Br)c(O)c(NC(=O)c2conc2CCl)c1 |
MW: | 344.95 |
Fraction sp3: | 0.09 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 101.38 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
catechol
hydroquinone
Filter6_benzyl_halide
Filter9_metal
aniline
aryl bromide
Alkyl Halide
analine
MAR-TRE-a78003aa-74
0.677
MAR-TRE-a78003aa-38
0.667
MAR-TRE-a78003aa-84
0.565
MAR-TRE-a78003aa-25
0.543
MAR-TRE-a78003aa-31
0.535
MAR-TRE-a78003aa-35
0.514
MAR-TRE-a78003aa-5
0.507
MAR-TRE-a78003aa-21
0.500
MAR-TRE-a78003aa-47
0.493
MAR-TRE-a78003aa-54
0.493
MAR-TRE-a78003aa-90
0.486
MAR-TRE-a78003aa-95
0.486
MAR-TRE-a78003aa-75
0.486
MAR-TRE-a78003aa-9
0.480
MAR-TRE-a78003aa-87
0.480
MAR-TRE-a78003aa-1
0.480
MAR-TRE-a78003aa-39
0.479
MAR-TRE-a78003aa-53
0.474
MAR-TRE-a78003aa-57
0.467
MAR-TRE-a78003aa-7
0.461
MAR-TRE-a78003aa-45
0.461
MAR-TRE-a78003aa-79
0.459
MAR-TRE-a78003aa-93
0.459
MAR-TRE-a78003aa-42
0.453
MAR-TRE-a78003aa-26
0.453
MAR-TRE-a78003aa-98
0.447
MAR-TRE-a78003aa-81
0.442
MAR-TRE-a78003aa-65
0.440
MAR-TRE-a78003aa-55
0.438
MAR-TRE-a78003aa-16
0.435
MAR-TRE-a78003aa-50
0.434
MAR-TRE-a78003aa-51
0.426
MAR-TRE-a78003aa-85
0.424
MAR-TRE-a78003aa-77
0.416
MAR-TRE-a78003aa-82
0.408
MAR-TRE-a78003aa-49
0.406
MAR-TRE-a78003aa-59
0.406
MAR-TRE-a78003aa-2
0.403
MAR-TRE-a78003aa-76
0.400
MAR-TRE-a78003aa-34
0.400
MAR-TRE-a78003aa-4
0.400
MAR-TRE-a78003aa-11
0.397
MAR-TRE-a78003aa-28
0.397
MAR-TRE-a78003aa-3
0.395
MAR-TRE-a78003aa-12
0.394
MAR-TRE-a78003aa-33
0.394
MAR-TRE-a78003aa-94
0.392
MAR-TRE-a78003aa-30
0.391
MAR-TRE-a78003aa-69
0.391
MAR-TRE-a78003aa-68
0.391
MAR-TRE-a78003aa-83
0.391
MAR-TRE-a78003aa-17
0.389
MAR-TRE-a78003aa-20
0.389
MAR-TRE-a78003aa-18
0.387
MAR-TRE-a78003aa-89
0.387
MAR-TRE-a78003aa-43
0.386
MAR-TRE-a78003aa-27
0.386
MAR-TRE-a78003aa-36
0.386
MAR-TRE-a78003aa-72
0.386
MAR-TRE-a78003aa-88
0.384
MAR-TRE-a78003aa-6
0.380
MAR-TRE-a78003aa-40
0.380
MAR-TRE-a78003aa-64
0.378
MAR-TRE-a78003aa-62
0.378
MAR-TRE-a78003aa-67
0.378
MAR-TRE-a78003aa-80
0.378
MAR-TRE-a78003aa-15
0.375
MAR-TRE-a78003aa-23
0.375
MAR-TRE-a78003aa-92
0.375
MAR-TRE-a78003aa-24
0.375
MAR-TRE-a78003aa-91
0.375
MAR-TRE-a78003aa-8
0.373
MAR-TRE-a78003aa-60
0.373
MAR-TRE-a78003aa-10
0.373
MAR-TRE-a78003aa-13
0.372
MAR-TRE-a78003aa-61
0.372
MAR-TRE-a78003aa-52
0.372
MAR-TRE-a78003aa-32
0.370
MAR-TRE-a78003aa-99
0.370
MAR-TRE-a78003aa-96
0.368
MAR-TRE-a78003aa-97
0.368
MAR-TRE-a78003aa-56
0.367
MAR-TRE-a78003aa-37
0.365
MAR-TRE-a78003aa-44
0.365
MAR-TRE-a78003aa-63
0.364
MAR-TRE-a78003aa-73
0.364
MAR-TRE-a78003aa-41
0.359
MAR-TRE-a78003aa-100
0.359
MAR-TRE-a78003aa-70
0.358
MAR-TRE-a78003aa-71
0.355
MAR-TRE-a78003aa-66
0.355
MAR-TRE-a78003aa-22
0.354
MAR-TRE-a78003aa-48
0.354
MAR-TRE-a78003aa-58
0.351
MAR-TRE-a78003aa-14
0.346
MAR-TRE-a78003aa-78
0.342
MAR-TRE-a78003aa-46
0.337
MAR-TRE-a78003aa-29
0.333
MAR-TRE-a78003aa-19
0.318
SER-UNI-985a0e14-2
0.228