Molecular Properties | |
SMILES: | O=C(O)CC(NC(=O)c1conc1CCl)C(=O)O |
MW: | 276.01 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 129.73 |
cLogP: | 0.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
too many COOH groups (>1)
Alkyl Halide
MAR-TRE-a78003aa-91
0.725
MAR-TRE-a78003aa-27
0.623
MAR-TRE-a78003aa-67
0.596
MAR-TRE-a78003aa-96
0.576
MAR-TRE-a78003aa-30
0.574
MAR-TRE-a78003aa-83
0.574
MAR-TRE-a78003aa-43
0.564
MAR-TRE-a78003aa-34
0.554
MAR-TRE-a78003aa-16
0.544
MAR-TRE-a78003aa-33
0.544
MAR-TRE-a78003aa-85
0.537
MAR-TRE-a78003aa-80
0.517
MAR-TRE-a78003aa-72
0.509
MAR-TRE-a78003aa-20
0.508
MAR-TRE-a78003aa-71
0.508
MAR-TRE-a78003aa-6
0.500
MAR-TRE-a78003aa-63
0.492
MAR-TRE-a78003aa-11
0.492
MAR-TRE-a78003aa-8
0.484
MAR-TRE-a78003aa-51
0.483
MAR-TRE-a78003aa-59
0.483
MAR-TRE-a78003aa-36
0.483
MAR-TRE-a78003aa-4
0.475
MAR-TRE-a78003aa-15
0.467
MAR-TRE-a78003aa-24
0.467
MAR-TRE-a78003aa-23
0.467
MAR-TRE-a78003aa-68
0.466
MAR-TRE-a78003aa-69
0.466
MAR-TRE-a78003aa-99
0.459
MAR-TRE-a78003aa-32
0.459
MAR-TRE-a78003aa-49
0.458
MAR-TRE-a78003aa-44
0.452
MAR-TRE-a78003aa-40
0.450
MAR-TRE-a78003aa-76
0.450
MAR-TRE-a78003aa-21
0.446
MAR-TRE-a78003aa-92
0.443
MAR-TRE-a78003aa-10
0.438
MAR-TRE-a78003aa-66
0.438
MAR-TRE-a78003aa-60
0.438
MAR-TRE-a78003aa-94
0.438
MAR-TRE-a78003aa-17
0.435
MAR-TRE-a78003aa-22
0.433
MAR-TRE-a78003aa-37
0.429
MAR-TRE-a78003aa-88
0.429
MAR-TRE-a78003aa-62
0.422
MAR-TRE-a78003aa-64
0.422
MAR-TRE-a78003aa-28
0.422
MAR-TRE-a78003aa-50
0.420
MAR-TRE-a78003aa-3
0.418
MAR-TRE-a78003aa-41
0.418
MAR-TRE-a78003aa-54
0.418
MAR-TRE-a78003aa-78
0.418
MAR-TRE-a78003aa-75
0.412
MAR-TRE-a78003aa-13
0.412
MAR-TRE-a78003aa-82
0.412
MAR-TRE-a78003aa-89
0.409
MAR-TRE-a78003aa-18
0.409
MAR-TRE-a78003aa-58
0.409
MAR-TRE-a78003aa-97
0.409
MAR-TRE-a78003aa-87
0.408
MAR-TRE-a78003aa-1
0.408
MAR-TRE-a78003aa-2
0.406
MAR-TRE-a78003aa-29
0.406
MAR-TRE-a78003aa-84
0.406
MAR-TRE-a78003aa-79
0.406
MAR-TRE-a78003aa-39
0.406
MAR-TRE-a78003aa-65
0.406
MAR-TRE-a78003aa-73
0.403
MAR-TRE-a78003aa-55
0.403
MAR-TRE-a78003aa-35
0.400
MAR-TRE-a78003aa-42
0.400
MAR-TRE-a78003aa-14
0.400
MAR-TRE-a78003aa-26
0.400
MAR-TRE-a78003aa-47
0.397
MAR-TRE-a78003aa-100
0.397
MAR-TRE-a78003aa-38
0.394
MAR-TRE-a78003aa-5
0.394
MAR-TRE-a78003aa-57
0.394
MAR-TRE-a78003aa-86
0.394
MAR-TRE-a78003aa-52
0.391
MAR-TRE-a78003aa-48
0.391
MAR-TRE-a78003aa-61
0.391
MAR-TRE-a78003aa-95
0.391
MAR-TRE-a78003aa-90
0.391
MAR-TRE-a78003aa-7
0.389
MAR-TRE-a78003aa-46
0.389
MAR-TRE-a78003aa-56
0.386
MAR-TRE-a78003aa-93
0.386
MAR-TRE-a78003aa-25
0.386
MAR-TRE-a78003aa-53
0.384
MAR-TRE-a78003aa-74
0.380
MAR-TRE-a78003aa-31
0.380
MAR-TRE-a78003aa-77
0.380
MAR-TRE-a78003aa-70
0.375
MAR-TRE-a78003aa-98
0.375
MAR-TRE-a78003aa-9
0.370
MAR-TRE-a78003aa-45
0.370
MAR-TRE-a78003aa-81
0.370
MAR-TRE-a78003aa-19
0.346
MAR-TRE-423310b6-7
0.344