Molecular Properties | |
SMILES: | N=C(N)NCCCCC(Nc1cnc(CCl)[nH]1)C(=O)O |
MW: | 302.13 |
Fraction sp3: | 0.55 |
HBA: | 4 |
HBD: | 6 |
Rotatable Bonds: | 9 |
TPSA: | 139.91 |
cLogP: | 0.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
imine
imine
Filter6_benzyl_halide
Imine 3
Long aliphatic chain
Alkyl Halide
MAR-TRE-87acfbcc-21
0.644
MAR-TRE-87acfbcc-22
0.639
MAR-TRE-87acfbcc-91
0.603
MAR-TRE-87acfbcc-20
0.593
MAR-TRE-87acfbcc-16
0.556
MAR-TRE-87acfbcc-41
0.542
MAR-TRE-87acfbcc-67
0.538
MAR-TRE-87acfbcc-9
0.538
MAR-TRE-87acfbcc-87
0.538
MAR-TRE-87acfbcc-15
0.516
MAR-TRE-87acfbcc-7
0.516
MAR-TRE-87acfbcc-11
0.484
MAR-TRE-87acfbcc-2
0.478
MAR-TRE-87acfbcc-51
0.471
MAR-TRE-87acfbcc-63
0.464
MAR-TRE-87acfbcc-79
0.459
MAR-TRE-87acfbcc-25
0.451
MAR-TRE-87acfbcc-36
0.444
MAR-TRE-87acfbcc-47
0.439
MAR-TRE-87acfbcc-5
0.438
MAR-TRE-87acfbcc-59
0.438
MAR-TRE-87acfbcc-38
0.438
MAR-TRE-87acfbcc-97
0.431
MAR-TRE-87acfbcc-12
0.429
MAR-TRE-87acfbcc-46
0.426
MAR-TRE-87acfbcc-13
0.409
MAR-TRE-87acfbcc-50
0.406
MAR-TRE-87acfbcc-99
0.405
MAR-TRE-87acfbcc-35
0.403
MAR-TRE-87acfbcc-28
0.394
MAR-TRE-87acfbcc-19
0.378
MAR-TRE-87acfbcc-95
0.378
MAR-TRE-87acfbcc-71
0.357
MAR-TRE-87acfbcc-8
0.357
MAR-TRE-87acfbcc-58
0.356
MAR-TRE-87acfbcc-70
0.353
MAR-TRE-87acfbcc-61
0.351
MAR-TRE-87acfbcc-49
0.343
MAR-TRE-87acfbcc-4
0.343
FAR-UNI-9a76d7b5-1
0.333
AAR-POS-fca48359-12
0.333
MAR-TRE-87acfbcc-45
0.324
MAR-TRE-87acfbcc-89
0.324
MAR-TRE-87acfbcc-55
0.324
MAR-TRE-87acfbcc-14
0.320
MAR-TRE-87acfbcc-62
0.319
MAR-TRE-87acfbcc-86
0.319
MAR-TRE-87acfbcc-90
0.317
MAR-TRE-87acfbcc-72
0.316
MAR-TRE-87acfbcc-10
0.312
MAR-TRE-4f39ef4a-68
0.308
SAL-INS-68b48d12-3
0.307
MAR-TRE-87acfbcc-37
0.306
MAR-TRE-87acfbcc-48
0.306
MAR-TRE-423310b6-39
0.303
MAR-TRE-87acfbcc-23
0.301
MAR-TRE-87acfbcc-83
0.300
MAR-TRE-423310b6-59
0.297
MAR-TRE-87acfbcc-33
0.297
SAL-INS-68b48d12-11
0.293
MAR-TRE-87acfbcc-92
0.292
MAR-TRE-423310b6-16
0.289
MAR-TRE-87acfbcc-98
0.288
MAR-TRE-87acfbcc-32
0.286
SAL-INS-a5f8a8b9-1
0.284
SAL-INS-68b48d12-1
0.284
MAR-TRE-423310b6-36
0.284
MAR-TRE-87acfbcc-100
0.280
MAR-TRE-423310b6-9
0.280
MAR-TRE-87acfbcc-26
0.279
MAR-TRE-87acfbcc-69
0.278
MAR-TRE-423310b6-24
0.276
MAR-TRE-87acfbcc-44
0.275
MAR-TRE-87acfbcc-34
0.275
MAR-TRE-87acfbcc-6
0.273
MAR-TRE-87acfbcc-93
0.273
MAR-TRE-87acfbcc-27
0.269
MAR-TRE-87acfbcc-54
0.269
MAR-TRE-85681e92-88
0.268
MAR-TRE-87acfbcc-29
0.264
MAR-TRE-423310b6-42
0.264
MAR-TRE-87acfbcc-76
0.263
MAR-TRE-423310b6-56
0.263
MAR-TRE-87acfbcc-3
0.261
MAR-TRE-87acfbcc-65
0.261
MAR-TRE-423310b6-72
0.260
MAR-TRE-423310b6-45
0.260
MAR-TRE-423310b6-82
0.260
MAR-TRE-423310b6-41
0.259
MAR-TRE-87acfbcc-74
0.259
MAR-TRE-85681e92-73
0.257
MAR-TRE-423310b6-31
0.256
MAR-TRE-87acfbcc-81
0.256
SAL-INS-68b48d12-9
0.255
MAR-TRE-423310b6-7
0.253
MAR-TRE-87acfbcc-82
0.253
SAL-INS-68b48d12-5
0.252
SAL-INS-68b48d12-7
0.248
MAR-TRE-87acfbcc-1
0.247
MAR-TRE-87acfbcc-68
0.247