Molecular Properties | |
SMILES: | CC(c1ccccc1)C(Nc1cnc(CCl)[nH]1)C(=O)O |
MW: | 293.09 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 78.01 |
cLogP: | 2.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-36
0.630
MAR-TRE-87acfbcc-38
0.618
MAR-TRE-87acfbcc-50
0.593
MAR-TRE-87acfbcc-47
0.586
MAR-TRE-87acfbcc-95
0.547
MAR-TRE-87acfbcc-79
0.536
MAR-TRE-87acfbcc-71
0.508
MAR-TRE-87acfbcc-7
0.492
MAR-TRE-87acfbcc-41
0.492
MAR-TRE-87acfbcc-91
0.475
MAR-TRE-87acfbcc-20
0.468
MAR-TRE-87acfbcc-15
0.468
MAR-TRE-87acfbcc-19
0.456
MAR-TRE-87acfbcc-28
0.455
MAR-TRE-87acfbcc-12
0.450
MAR-TRE-87acfbcc-25
0.449
MAR-TRE-87acfbcc-22
0.448
MAR-TRE-87acfbcc-87
0.448
MAR-TRE-87acfbcc-21
0.446
MAR-TRE-87acfbcc-16
0.439
MAR-TRE-87acfbcc-11
0.438
MAR-TRE-87acfbcc-51
0.429
MAR-TRE-87acfbcc-13
0.429
MAR-TRE-87acfbcc-9
0.426
MAR-TRE-87acfbcc-67
0.426
MAR-TRE-87acfbcc-5
0.417
MAR-TRE-87acfbcc-59
0.417
MAR-TRE-87acfbcc-2
0.412
MAR-TRE-87acfbcc-72
0.406
MAR-TRE-87acfbcc-46
0.403
MAR-TRE-87acfbcc-53
0.403
MAR-TRE-87acfbcc-63
0.400
MAR-TRE-87acfbcc-83
0.384
MAR-TRE-87acfbcc-8
0.373
MAR-TRE-87acfbcc-97
0.370
MAR-TRE-87acfbcc-70
0.369
MAR-TRE-87acfbcc-99
0.365
MAR-TRE-87acfbcc-48
0.358
MAR-TRE-87acfbcc-49
0.358
MAR-TRE-87acfbcc-86
0.354
MAR-TRE-87acfbcc-29
0.338
MAR-TRE-87acfbcc-62
0.333
MAR-TRE-87acfbcc-52
0.329
MAR-TRE-85681e92-49
0.319
MAR-TRE-87acfbcc-55
0.319
MAR-TRE-87acfbcc-3
0.317
MAR-TRE-87acfbcc-58
0.315
MAR-TRE-87acfbcc-32
0.315
MAR-TRE-87acfbcc-1
0.314
MAR-TRE-87acfbcc-61
0.312
MAR-TRE-87acfbcc-90
0.311
MAR-TRE-87acfbcc-39
0.307
MAR-TRE-87acfbcc-37
0.300
MAR-TRE-aca67d11-10
0.297
MAR-TRE-87acfbcc-26
0.292
MAR-TRE-87acfbcc-100
0.292
MAR-TRE-87acfbcc-33
0.292
MAR-TRE-87acfbcc-76
0.292
MAR-TRE-87acfbcc-69
0.290
MAR-TRE-87acfbcc-31
0.289
MAR-TRE-87acfbcc-73
0.286
MAR-TRE-87acfbcc-92
0.286
MAR-TRE-423310b6-54
0.286
MAR-TRE-87acfbcc-44
0.286
MAR-TRE-423310b6-62
0.286
MAR-TRE-87acfbcc-93
0.284
MAR-TRE-87acfbcc-6
0.284
MAR-TRE-6a44bbf2-57
0.282
BEN-DND-03406596-11
0.282
BEN-DND-03406596-12
0.282
MAR-TRE-87acfbcc-4
0.282
BEN-DND-03406596-4
0.282
MAR-TRE-87acfbcc-98
0.282
MAR-TRE-423310b6-49
0.282
BEN-DND-93268d01-1
0.282
MAR-TRE-8190bb11-6
0.277
MAR-TRE-87acfbcc-77
0.275
MAR-TRE-423310b6-83
0.274
MAR-TRE-87acfbcc-68
0.274
MAR-TRE-87acfbcc-10
0.273
MAR-TRE-8190bb11-48
0.273
MAR-TRE-87acfbcc-65
0.271
MAR-TRE-8190bb11-11
0.269
MAR-TRE-87acfbcc-34
0.269
MAR-TRE-87acfbcc-96
0.269
MAR-TRE-8190bb11-93
0.267
MAR-TRE-87acfbcc-94
0.266
MAR-TRE-87acfbcc-81
0.265
MAR-TRE-87acfbcc-45
0.264
MAR-TRE-87acfbcc-89
0.264
MAR-TRE-87acfbcc-54
0.263
MAR-TRE-87acfbcc-14
0.263
MAR-TRE-04c86cea-19
0.262
MAR-TRE-9d18ae8c-80
0.262
MAR-TRE-85681e92-92
0.262
MAR-TRE-87acfbcc-24
0.260
ADA-UNI-f8e79267-5
0.259
AUS-ARG-7cfdce8f-13
0.256
BAR-COM-4e090d3a-28
0.256
MAR-TRE-87acfbcc-18
0.256