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DocumentationIdentifier: MM387030
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387030 |
| SMILES |
CCCN(C=N)CCC#N
|
| InChIKey |
LUOMQQQELSNVPB-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63066
Similarity: 0.7582
Similarity to MM63066
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8625 |
| MW: | 136.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387034
Similarity: 0.7
Similarity to MM387034
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8293 |
| Dice metric | 0.8235 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387596
Similarity: 0.69
Similarity to MM387596
| Tanimoto metric | 0.69 |
|---|---|
| Cosine metric | 0.8218 |
| Dice metric | 0.8166 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+302 more
