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DocumentationIdentifier: MM84013
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84013 |
| SMILES |
N#CC#CC(=O)NCC#N
|
| InChIKey |
MLYUMYPXAZTUDK-UHFFFAOYSA-N
|
| MW [Da] |
133.11
Automatically obtained from RDkit software. |
| LogP |
-0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46538
Similarity: 0.8542
Similarity to MM46538
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46945
Similarity: 0.8542
Similarity to MM46945
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84040
Similarity: 0.7736
Similarity to MM84040
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8725 |
| Dice metric | 0.8723 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+251 more
