Molecular Properties | |
SMILES: | O=C(Nc1ncccc1C(=O)O)c1conc1CCl |
MW: | 281.02 |
Fraction sp3: | 0.09 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 105.32 |
cLogP: | 1.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-a78003aa-55
0.700
MAR-TRE-a78003aa-75
0.529
MAR-TRE-a78003aa-98
0.507
MAR-TRE-a78003aa-79
0.500
MAR-TRE-a78003aa-53
0.473
MAR-TRE-a78003aa-42
0.472
MAR-TRE-a78003aa-50
0.472
MAR-TRE-a78003aa-26
0.472
MAR-TRE-a78003aa-35
0.472
MAR-TRE-a78003aa-57
0.466
MAR-TRE-a78003aa-7
0.459
MAR-TRE-a78003aa-31
0.452
MAR-TRE-a78003aa-47
0.451
MAR-TRE-a78003aa-85
0.444
MAR-TRE-a78003aa-93
0.438
MAR-TRE-a78003aa-25
0.438
MAR-TRE-a78003aa-65
0.438
MAR-TRE-a78003aa-74
0.432
MAR-TRE-a78003aa-78
0.431
MAR-TRE-a78003aa-54
0.431
MAR-TRE-a78003aa-32
0.426
MAR-TRE-a78003aa-95
0.425
MAR-TRE-a78003aa-90
0.425
MAR-TRE-a78003aa-36
0.424
MAR-TRE-a78003aa-43
0.424
MAR-TRE-a78003aa-72
0.424
MAR-TRE-a78003aa-27
0.424
MAR-TRE-a78003aa-59
0.424
MAR-TRE-a78003aa-87
0.421
MAR-TRE-a78003aa-81
0.421
MAR-TRE-a78003aa-1
0.421
MAR-TRE-a78003aa-2
0.419
MAR-TRE-a78003aa-39
0.419
MAR-TRE-a78003aa-84
0.419
MAR-TRE-a78003aa-21
0.417
MAR-TRE-a78003aa-77
0.413
MAR-TRE-a78003aa-24
0.412
MAR-TRE-a78003aa-91
0.412
MAR-TRE-a78003aa-12
0.412
MAR-TRE-a78003aa-16
0.412
MAR-TRE-a78003aa-68
0.409
MAR-TRE-a78003aa-69
0.409
MAR-TRE-a78003aa-30
0.409
MAR-TRE-a78003aa-83
0.409
MAR-TRE-a78003aa-38
0.408
MAR-TRE-a78003aa-5
0.408
MAR-TRE-a78003aa-86
0.408
MAR-TRE-a78003aa-20
0.406
MAR-TRE-a78003aa-49
0.403
MAR-TRE-a78003aa-51
0.403
MAR-TRE-a78003aa-9
0.403
MAR-TRE-a78003aa-45
0.403
MAR-TRE-a78003aa-29
0.400
MAR-TRE-a78003aa-44
0.400
MAR-TRE-a78003aa-4
0.397
MAR-TRE-a78003aa-40
0.397
MAR-TRE-a78003aa-34
0.397
MAR-TRE-a78003aa-76
0.397
MAR-TRE-a78003aa-6
0.397
MAR-TRE-a78003aa-11
0.394
MAR-TRE-a78003aa-33
0.391
MAR-TRE-a78003aa-15
0.391
MAR-TRE-a78003aa-23
0.391
MAR-TRE-a78003aa-92
0.391
MAR-TRE-a78003aa-10
0.389
MAR-TRE-a78003aa-66
0.389
MAR-TRE-a78003aa-17
0.386
MAR-TRE-a78003aa-99
0.386
MAR-TRE-a78003aa-37
0.380
MAR-TRE-a78003aa-88
0.380
MAR-TRE-a78003aa-28
0.375
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-71
0.370
MAR-TRE-a78003aa-60
0.370
MAR-TRE-a78003aa-94
0.370
MAR-TRE-a78003aa-8
0.370
MAR-TRE-a78003aa-46
0.367
MAR-TRE-a78003aa-96
0.365
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-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-100
0.355
MAR-TRE-a78003aa-70
0.354
MAR-TRE-a78003aa-22
0.351
MAR-TRE-a78003aa-48
0.351
MAR-TRE-a78003aa-13
0.351
MAR-TRE-a78003aa-52
0.351
MAR-TRE-a78003aa-61
0.351
MAR-TRE-a78003aa-14
0.342
MAR-TRE-a78003aa-19
0.314
AAR-POS-0daf6b7e-20
0.257