Molecular Properties | |
SMILES: | COc1ccc(NC(=O)c2conc2CCl)c(OC)c1 |
MW: | 296.06 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 73.59 |
cLogP: | 2.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-a78003aa-7
0.697
MAR-TRE-a78003aa-9
0.672
MAR-TRE-a78003aa-5
0.632
MAR-TRE-a78003aa-87
0.577
MAR-TRE-a78003aa-81
0.556
MAR-TRE-a78003aa-47
0.551
MAR-TRE-a78003aa-79
0.535
MAR-TRE-a78003aa-93
0.535
MAR-TRE-a78003aa-54
0.529
MAR-TRE-a78003aa-42
0.528
MAR-TRE-a78003aa-95
0.521
MAR-TRE-a78003aa-26
0.507
MAR-TRE-a78003aa-35
0.507
MAR-TRE-a78003aa-53
0.507
MAR-TRE-a78003aa-90
0.500
MAR-TRE-a78003aa-21
0.493
MAR-TRE-a78003aa-25
0.473
MAR-TRE-a78003aa-39
0.473
MAR-TRE-a78003aa-84
0.473
MAR-TRE-a78003aa-31
0.467
MAR-TRE-a78003aa-50
0.467
MAR-TRE-a78003aa-49
0.463
MAR-TRE-a78003aa-86
0.461
MAR-TRE-a78003aa-38
0.461
MAR-TRE-a78003aa-75
0.459
MAR-TRE-a78003aa-1
0.455
MAR-TRE-a78003aa-65
0.453
MAR-TRE-a78003aa-74
0.447
MAR-TRE-a78003aa-10
0.444
MAR-TRE-a78003aa-98
0.442
MAR-TRE-a78003aa-57
0.442
MAR-TRE-a78003aa-33
0.429
MAR-TRE-a78003aa-99
0.423
MAR-TRE-a78003aa-58
0.419
MAR-TRE-a78003aa-44
0.417
MAR-TRE-a78003aa-2
0.416
MAR-TRE-a78003aa-40
0.414
MAR-TRE-a78003aa-55
0.413
MAR-TRE-a78003aa-62
0.411
MAR-TRE-a78003aa-64
0.411
MAR-TRE-a78003aa-28
0.411
MAR-TRE-a78003aa-67
0.411
MAR-TRE-a78003aa-80
0.411
MAR-TRE-a78003aa-77
0.410
MAR-TRE-a78003aa-3
0.408
MAR-TRE-a78003aa-83
0.406
MAR-TRE-a78003aa-30
0.406
MAR-TRE-a78003aa-8
0.405
MAR-TRE-a78003aa-60
0.405
MAR-TRE-a78003aa-82
0.403
MAR-TRE-a78003aa-59
0.400
MAR-TRE-a78003aa-27
0.400
MAR-TRE-a78003aa-51
0.400
MAR-TRE-a78003aa-97
0.400
MAR-TRE-a78003aa-43
0.400
MAR-TRE-a78003aa-85
0.397
MAR-TRE-a78003aa-34
0.394
MAR-TRE-a78003aa-16
0.389
MAR-TRE-a78003aa-91
0.389
MAR-TRE-a78003aa-66
0.387
MAR-TRE-a78003aa-68
0.386
MAR-TRE-a78003aa-69
0.386
MAR-TRE-a78003aa-22
0.385
MAR-TRE-a78003aa-32
0.384
MAR-TRE-a78003aa-89
0.382
MAR-TRE-a78003aa-96
0.382
MAR-TRE-a78003aa-18
0.382
MAR-TRE-a78003aa-36
0.380
MAR-TRE-a78003aa-72
0.380
MAR-TRE-a78003aa-37
0.378
MAR-TRE-a78003aa-88
0.378
MAR-TRE-a78003aa-63
0.377
MAR-TRE-a78003aa-6
0.375
MAR-TRE-a78003aa-76
0.375
MAR-TRE-a78003aa-4
0.375
MAR-TRE-a78003aa-78
0.372
MAR-TRE-a78003aa-41
0.372
MAR-TRE-a78003aa-12
0.370
MAR-TRE-a78003aa-92
0.370
MAR-TRE-a78003aa-15
0.370
MAR-TRE-a78003aa-23
0.370
MAR-TRE-a78003aa-24
0.370
MAR-TRE-a78003aa-71
0.368
MAR-TRE-a78003aa-52
0.367
MAR-TRE-a78003aa-61
0.367
MAR-TRE-a78003aa-13
0.367
MAR-TRE-a78003aa-17
0.365
MAR-TRE-a78003aa-20
0.365
MAR-TRE-a78003aa-56
0.362
LON-WEI-4d77710c-18
0.360
LON-WEI-5e7d1b3e-18
0.360
MAR-TRE-a78003aa-73
0.359
MAR-TRE-a78003aa-14
0.358
MAR-TRE-3e4e6814-6
0.356
MAR-TRE-a78003aa-11
0.355
MAR-TRE-a78003aa-100
0.354
MAR-TRE-a78003aa-94
0.351
MAR-TRE-a78003aa-48
0.350
MAR-TRE-a78003aa-29
0.346
MAR-TRE-a78003aa-19
0.345