Molecular Properties | |
SMILES: | CCCCC(Nc1cnc(CCl)[nH]1)C(=O)O |
MW: | 245.09 |
Fraction sp3: | 0.6 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 78.01 |
cLogP: | 2.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Long aliphatic chain
Alkyl Halide
MAR-TRE-87acfbcc-22
0.824
MAR-TRE-87acfbcc-20
0.776
MAR-TRE-87acfbcc-91
0.686
MAR-TRE-87acfbcc-41
0.680
MAR-TRE-87acfbcc-9
0.661
MAR-TRE-87acfbcc-16
0.655
MAR-TRE-87acfbcc-53
0.644
MAR-TRE-87acfbcc-87
0.632
MAR-TRE-87acfbcc-67
0.632
MAR-TRE-87acfbcc-15
0.611
MAR-TRE-87acfbcc-7
0.611
MAR-TRE-87acfbcc-79
0.547
MAR-TRE-87acfbcc-2
0.533
MAR-TRE-87acfbcc-36
0.527
MAR-TRE-87acfbcc-97
0.524
MAR-TRE-87acfbcc-38
0.518
MAR-TRE-87acfbcc-47
0.517
MAR-TRE-87acfbcc-11
0.517
MAR-TRE-87acfbcc-63
0.516
MAR-TRE-87acfbcc-13
0.509
MAR-TRE-87acfbcc-5
0.508
MAR-TRE-87acfbcc-59
0.508
MAR-TRE-87acfbcc-25
0.500
MAR-TRE-87acfbcc-51
0.500
MAR-TRE-87acfbcc-12
0.482
MAR-TRE-87acfbcc-46
0.475
MAR-TRE-87acfbcc-50
0.452
MAR-TRE-87acfbcc-99
0.448
MAR-TRE-87acfbcc-35
0.446
MAR-TRE-87acfbcc-28
0.438
MAR-TRE-87acfbcc-8
0.419
MAR-TRE-87acfbcc-19
0.418
MAR-TRE-87acfbcc-95
0.418
MAR-TRE-87acfbcc-48
0.381
MAR-TRE-87acfbcc-86
0.377
MAR-TRE-87acfbcc-71
0.375
MAR-TRE-87acfbcc-70
0.371
MAR-TRE-87acfbcc-72
0.368
MAR-TRE-87acfbcc-49
0.359
MAR-TRE-87acfbcc-62
0.354
MAR-TRE-87acfbcc-58
0.353
MAR-TRE-87acfbcc-61
0.347
MAR-TRE-87acfbcc-83
0.347
MAR-TRE-87acfbcc-29
0.338
MAR-TRE-87acfbcc-32
0.333
MAR-TRE-87acfbcc-26
0.333
MAR-TRE-87acfbcc-90
0.333
MAR-TRE-87acfbcc-45
0.318
MAR-TRE-87acfbcc-37
0.318
MAR-TRE-87acfbcc-55
0.318
MAR-TRE-423310b6-36
0.313
MAR-TRE-87acfbcc-23
0.312
MAR-TRE-87acfbcc-68
0.309
MAR-TRE-87acfbcc-33
0.309
MAR-TRE-87acfbcc-100
0.309
MAR-TRE-87acfbcc-69
0.308
MAR-TRE-87acfbcc-10
0.306
MAR-TRE-423310b6-56
0.306
MAR-TRE-423310b6-24
0.304
MAR-TRE-aca67d11-54
0.304
MAR-TRE-87acfbcc-34
0.301
MAR-TRE-87acfbcc-65
0.300
MAR-TRE-87acfbcc-6
0.300
MAR-TRE-87acfbcc-4
0.299
MAR-TRE-87acfbcc-89
0.299
MAR-TRE-423310b6-39
0.296
MAR-TRE-87acfbcc-14
0.296
MAR-TRE-423310b6-42
0.292
MAR-TRE-423310b6-72
0.288
MAR-TRE-36bf7dba-67
0.288
MAR-TRE-87acfbcc-74
0.284
MAR-TRE-87acfbcc-92
0.284
MAR-TRE-87acfbcc-93
0.282
MAR-TRE-423310b6-7
0.279
MAR-TRE-87acfbcc-98
0.279
MAR-TRE-87acfbcc-54
0.278
MAR-TRE-87acfbcc-27
0.278
MAR-TRE-87acfbcc-82
0.278
MAR-TRE-8a25d817-58
0.275
MAR-TRE-87acfbcc-24
0.274
MAR-TRE-87acfbcc-64
0.274
MAR-TRE-87acfbcc-84
0.274
MAR-TRE-87acfbcc-31
0.272
MAR-TRE-423310b6-83
0.271
MAR-TRE-423310b6-9
0.271
MAR-TRE-87acfbcc-76
0.271
MAR-TRE-a78003aa-91
0.271
MAR-TRE-87acfbcc-39
0.270
MAR-TRE-87acfbcc-3
0.268
MAR-TRE-423310b6-29
0.268
MAR-TRE-423310b6-82
0.268
MAR-TRE-423310b6-45
0.268
MAR-TRE-423310b6-88
0.268
MAR-TRE-87acfbcc-1
0.267
MAR-TRE-87acfbcc-42
0.267
MAR-TRE-87acfbcc-44
0.267
MAR-TRE-423310b6-54
0.265
MAR-TRE-423310b6-16
0.264
MAR-TRE-87acfbcc-85
0.264
MAR-TRE-87acfbcc-94
0.263