Molecular Properties | |
SMILES: | NC(CCOCCNc1cnc(CCl)[nH]1)C(=O)O |
MW: | 276.1 |
Fraction sp3: | 0.6 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 9 |
TPSA: | 113.26 |
cLogP: | 0.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Filter6_benzyl_halide
amino acid
Long aliphatic chain
Unbranched chain
Alkyl Halide
MAR-TRE-423310b6-47
0.522
MAR-TRE-87acfbcc-55
0.516
MAR-TRE-87acfbcc-90
0.456
MAR-TRE-87acfbcc-58
0.456
MAR-TRE-87acfbcc-4
0.446
MAR-TRE-87acfbcc-89
0.446
MAR-TRE-87acfbcc-86
0.444
MAR-TRE-87acfbcc-45
0.424
MAR-TRE-87acfbcc-62
0.418
MAR-TRE-87acfbcc-32
0.414
MAR-TRE-87acfbcc-49
0.403
MAR-TRE-87acfbcc-44
0.397
MAR-TRE-87acfbcc-79
0.391
MAR-TRE-87acfbcc-91
0.388
MAR-TRE-87acfbcc-7
0.382
MAR-TRE-87acfbcc-41
0.379
MAR-TRE-87acfbcc-47
0.377
MAR-TRE-87acfbcc-54
0.375
MAR-TRE-87acfbcc-12
0.364
MAR-TRE-87acfbcc-98
0.362
MAR-TRE-87acfbcc-20
0.362
MAR-TRE-87acfbcc-36
0.358
MAR-TRE-87acfbcc-38
0.353
MAR-TRE-87acfbcc-33
0.352
MAR-TRE-87acfbcc-67
0.351
MAR-TRE-87acfbcc-53
0.351
MAR-TRE-87acfbcc-81
0.350
MAR-TRE-87acfbcc-13
0.348
MAR-TRE-87acfbcc-21
0.347
MAR-TRE-87acfbcc-15
0.343
MAR-TRE-87acfbcc-16
0.342
MAR-TRE-87acfbcc-11
0.338
MAR-TRE-87acfbcc-94
0.338
MAR-TRE-87acfbcc-51
0.338
MAR-TRE-87acfbcc-25
0.338
MAR-TRE-87acfbcc-87
0.333
MAR-TRE-87acfbcc-22
0.333
MAR-TRE-87acfbcc-9
0.333
MAR-TRE-423310b6-85
0.333
MAR-TRE-87acfbcc-63
0.329
MAR-TRE-87acfbcc-46
0.329
MAR-TRE-87acfbcc-50
0.329
MAR-TRE-423310b6-41
0.325
MAR-TRE-87acfbcc-95
0.325
MAR-TRE-87acfbcc-93
0.324
MAR-TRE-87acfbcc-48
0.324
MAR-TRE-87acfbcc-97
0.321
MAR-TRE-87acfbcc-2
0.320
MAR-TRE-87acfbcc-28
0.320
MAR-TRE-87acfbcc-99
0.316
MAR-TRE-87acfbcc-76
0.315
MAR-TRE-87acfbcc-5
0.312
MAR-TRE-87acfbcc-59
0.312
MAR-TRE-87acfbcc-35
0.312
MAR-TRE-87acfbcc-19
0.308
MAR-TRE-87acfbcc-34
0.308
MAR-TRE-36bf7dba-14
0.304
MAR-TRE-87acfbcc-70
0.296
MAR-TRE-87acfbcc-73
0.291
MAR-TRE-87acfbcc-65
0.291
MAR-TRE-87acfbcc-85
0.289
MAR-TRE-87acfbcc-37
0.288
MAR-TRE-423310b6-19
0.287
MAR-TRE-87acfbcc-23
0.286
MAR-TRE-87acfbcc-14
0.286
MAR-TRE-87acfbcc-8
0.284
MAR-TRE-87acfbcc-100
0.280
MAR-TRE-87acfbcc-26
0.279
MAR-TRE-87acfbcc-10
0.278
MAR-TRE-87acfbcc-42
0.275
MAR-TRE-87acfbcc-74
0.275
MAR-TRE-87acfbcc-27
0.269
MAR-TRE-85681e92-85
0.267
MAR-TRE-87acfbcc-71
0.267
MAR-TRE-87acfbcc-29
0.264
MAR-TRE-87acfbcc-68
0.263
MAR-TRE-36bf7dba-34
0.263
MAR-TRE-87acfbcc-69
0.260
MAR-TRE-87acfbcc-92
0.257
MAR-TRE-87acfbcc-6
0.256
MAR-TRE-87acfbcc-82
0.253
MAR-TRE-87acfbcc-78
0.253
MAR-TRE-423310b6-92
0.250
MAR-TRE-8a25d817-41
0.250
MAR-TRE-87acfbcc-72
0.250
MAR-TRE-87acfbcc-24
0.250
MAR-TRE-a78003aa-20
0.244
MAR-TRE-423310b6-31
0.241
MAR-TRE-36bf7dba-23
0.241
MAR-TRE-87acfbcc-84
0.239
MAR-TRE-87acfbcc-83
0.238
MAR-UCB-195bc32d-13
0.237
MAR-TRE-87acfbcc-31
0.236
MAR-TRE-87acfbcc-18
0.234
MAR-TRE-87acfbcc-1
0.234
MAR-TRE-423310b6-36
0.234
MAR-TRE-aca67d11-74
0.234
MAR-TRE-87acfbcc-3
0.233
MAR-TRE-87acfbcc-39
0.232
MAR-TRE-423310b6-83
0.231