Molecular Properties | |
SMILES: | O=C(O)CC(Nc1c[nH]nc1CCl)C(=O)O |
MW: | 247.04 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 115.31 |
cLogP: | 0.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
too many COOH groups (>1)
Alkyl Halide
MAR-TRE-423310b6-42
0.761
MAR-TRE-423310b6-9
0.755
MAR-TRE-423310b6-72
0.745
MAR-TRE-423310b6-24
0.673
MAR-TRE-423310b6-36
0.667
MAR-TRE-423310b6-82
0.642
MAR-TRE-423310b6-29
0.642
MAR-TRE-423310b6-45
0.642
MAR-TRE-423310b6-16
0.630
MAR-TRE-423310b6-53
0.625
MAR-TRE-423310b6-39
0.618
MAR-TRE-423310b6-56
0.596
MAR-TRE-423310b6-73
0.596
MAR-TRE-423310b6-57
0.585
MAR-TRE-423310b6-31
0.576
MAR-TRE-423310b6-54
0.566
MAR-TRE-423310b6-49
0.556
MAR-TRE-423310b6-88
0.554
MAR-TRE-423310b6-83
0.536
MAR-TRE-423310b6-27
0.533
MAR-TRE-423310b6-62
0.533
MAR-TRE-423310b6-21
0.525
MAR-TRE-423310b6-26
0.519
MAR-TRE-423310b6-68
0.516
MAR-TRE-423310b6-71
0.491
MAR-TRE-423310b6-22
0.491
MAR-TRE-423310b6-23
0.467
MAR-TRE-423310b6-89
0.446
MAR-TRE-423310b6-17
0.410
MAR-TRE-423310b6-40
0.410
MAR-TRE-85681e92-57
0.407
MAR-TRE-423310b6-85
0.406
MAR-TRE-423310b6-94
0.397
MAR-TRE-423310b6-41
0.394
MAR-TRE-423310b6-60
0.391
MAR-TRE-423310b6-19
0.388
MAR-TRE-423310b6-32
0.385
MAR-TRE-423310b6-20
0.381
MAR-TRE-423310b6-47
0.377
MAR-TRE-423310b6-69
0.371
MAR-TRE-423310b6-55
0.356
MAR-TRE-423310b6-14
0.354
MAR-TRE-423310b6-91
0.349
MAR-TRE-a78003aa-12
0.344
MAR-TRE-423310b6-15
0.339
MAR-TRE-423310b6-87
0.338
MAR-TRE-423310b6-67
0.333
MAR-TRE-423310b6-8
0.328
MAR-TRE-423310b6-33
0.328
MAR-TRE-423310b6-86
0.328
MAR-TRE-423310b6-76
0.328
MAR-TRE-423310b6-59
0.323
MAR-TRE-423310b6-58
0.317
MAR-TRE-423310b6-50
0.313
MAR-TRE-423310b6-28
0.312
MAR-TRE-423310b6-81
0.308
MAR-TRE-423310b6-25
0.307
MAR-TRE-423310b6-13
0.304
MAR-TRE-423310b6-65
0.303
MAR-TRE-85681e92-73
0.300
MAR-TRE-423310b6-46
0.299
MAR-TRE-423310b6-30
0.292
MAR-TRE-423310b6-77
0.290
MAR-TRE-423310b6-70
0.286
MAR-TRE-87acfbcc-41
0.286
MAR-TRE-423310b6-92
0.284
MAR-TRE-a78003aa-91
0.284
MAR-TRE-87acfbcc-63
0.282
MAR-TRE-423310b6-64
0.282
MAR-TRE-423310b6-93
0.282
MAR-TRE-87acfbcc-21
0.279
MAR-TRE-87acfbcc-46
0.279
MAR-TRE-87acfbcc-91
0.277
MAR-TRE-87acfbcc-16
0.275
MAR-TRE-87acfbcc-15
0.273
MAR-TRE-87acfbcc-7
0.273
MAR-TRE-87acfbcc-20
0.273
MAR-TRE-87acfbcc-2
0.271
MAR-TRE-aca67d11-97
0.271
MAR-TRE-423310b6-51
0.270
MAR-TRE-87acfbcc-67
0.268
MAR-TRE-87acfbcc-87
0.268
MAR-TRE-87acfbcc-22
0.268
MAR-TRE-423310b6-75
0.268
MAR-TRE-423310b6-18
0.267
MAR-TRE-423310b6-61
0.267
MAR-TRE-423310b6-79
0.263
MAR-TRE-a78003aa-20
0.261
MAR-TRE-423310b6-80
0.261
MAR-TRE-423310b6-66
0.257
MAR-TRE-87acfbcc-79
0.254
MAR-TRE-a78003aa-27
0.254
MAR-TRE-87acfbcc-53
0.253
MAR-TRE-423310b6-10
0.253
MAR-TRE-85681e92-88
0.250
MAR-TRE-87acfbcc-47
0.250
MAR-TRE-87acfbcc-9
0.250
MAR-TRE-423310b6-44
0.247
MAR-TRE-85681e92-46
0.247
MAR-TRE-aca67d11-95
0.246