Molecular Properties | |
SMILES: | O=C(Nc1cc(F)cc(Cl)c1O)c1conc1CCl |
MW: | 303.98 |
Fraction sp3: | 0.09 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 75.36 |
cLogP: | 3.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
catechol
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-a78003aa-25
0.698
MAR-TRE-a78003aa-38
0.677
MAR-TRE-a78003aa-74
0.662
MAR-TRE-a78003aa-39
0.574
MAR-TRE-a78003aa-90
0.559
MAR-TRE-a78003aa-21
0.552
MAR-TRE-a78003aa-86
0.535
MAR-TRE-a78003aa-47
0.522
MAR-TRE-a78003aa-26
0.521
MAR-TRE-a78003aa-87
0.507
MAR-TRE-a78003aa-54
0.500
MAR-TRE-a78003aa-75
0.493
MAR-TRE-a78003aa-95
0.493
MAR-TRE-a78003aa-84
0.486
MAR-TRE-a78003aa-79
0.486
MAR-TRE-a78003aa-93
0.486
MAR-TRE-a78003aa-53
0.480
MAR-TRE-a78003aa-50
0.479
MAR-TRE-a78003aa-5
0.473
MAR-TRE-a78003aa-9
0.467
MAR-TRE-a78003aa-45
0.467
MAR-TRE-a78003aa-1
0.467
MAR-TRE-a78003aa-81
0.467
MAR-TRE-a78003aa-42
0.459
MAR-TRE-a78003aa-35
0.459
MAR-TRE-a78003aa-98
0.453
MAR-TRE-a78003aa-82
0.452
MAR-TRE-a78003aa-7
0.447
MAR-TRE-a78003aa-65
0.446
MAR-TRE-a78003aa-55
0.444
MAR-TRE-a78003aa-57
0.434
MAR-TRE-a78003aa-2
0.427
MAR-TRE-a78003aa-49
0.412
MAR-TRE-a78003aa-85
0.409
MAR-TRE-a78003aa-15
0.400
MAR-TRE-a78003aa-16
0.400
MAR-TRE-a78003aa-83
0.397
MAR-TRE-a78003aa-30
0.397
MAR-TRE-a78003aa-68
0.397
MAR-TRE-a78003aa-69
0.397
MAR-TRE-a78003aa-43
0.391
MAR-TRE-a78003aa-36
0.391
MAR-TRE-a78003aa-51
0.391
MAR-TRE-a78003aa-72
0.391
MAR-TRE-a78003aa-27
0.391
MAR-TRE-a78003aa-59
0.391
MAR-TRE-a78003aa-34
0.386
MAR-TRE-a78003aa-4
0.386
MAR-TRE-a78003aa-40
0.386
MAR-TRE-a78003aa-76
0.386
MAR-TRE-a78003aa-6
0.386
MAR-TRE-a78003aa-77
0.385
MAR-TRE-a78003aa-28
0.384
MAR-TRE-a78003aa-11
0.384
MAR-TRE-a78003aa-33
0.380
MAR-TRE-a78003aa-24
0.380
MAR-TRE-a78003aa-12
0.380
MAR-TRE-a78003aa-91
0.380
MAR-TRE-a78003aa-23
0.380
MAR-TRE-a78003aa-92
0.380
MAR-TRE-a78003aa-32
0.375
MAR-TRE-a78003aa-99
0.375
MAR-TRE-a78003aa-17
0.375
MAR-TRE-a78003aa-20
0.375
MAR-TRE-a78003aa-88
0.370
MAR-TRE-a78003aa-44
0.370
MAR-TRE-a78003aa-37
0.370
MAR-TRE-a78003aa-62
0.365
MAR-TRE-a78003aa-80
0.365
MAR-TRE-a78003aa-67
0.365
MAR-TRE-a78003aa-64
0.365
MAR-TRE-a78003aa-3
0.364
MAR-TRE-a78003aa-70
0.362
MAR-TRE-a78003aa-60
0.360
MAR-TRE-a78003aa-66
0.360
MAR-TRE-a78003aa-8
0.360
MAR-TRE-a78003aa-94
0.360
MAR-TRE-a78003aa-10
0.360
MAR-TRE-a78003aa-71
0.360
MAR-TRE-a78003aa-96
0.355
MAR-TRE-a78003aa-18
0.355
MAR-TRE-a78003aa-89
0.355
MAR-TRE-a78003aa-58
0.355
MAR-TRE-a78003aa-97
0.355
MAR-TRE-a78003aa-56
0.354
MAR-TRE-a78003aa-63
0.351
MAR-TRE-a78003aa-73
0.351
MAR-TRE-a78003aa-100
0.346
MAR-TRE-a78003aa-78
0.346
MAR-TRE-a78003aa-41
0.346
MAR-TRE-a78003aa-52
0.342
MAR-TRE-a78003aa-61
0.342
MAR-TRE-a78003aa-13
0.342
MAR-TRE-a78003aa-48
0.342
MAR-TRE-a78003aa-22
0.342
MAR-TRE-a78003aa-29
0.338
MAR-TRE-a78003aa-14
0.333
MAR-TRE-a78003aa-46
0.325
MAR-TRE-a78003aa-19
0.307
JAG-UCB-c61058a9-42
0.229