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DocumentationIdentifier: MM39626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM39626 |
| SMILES |
C#CCCC#CC=O
|
| InChIKey |
QOVUFQDIBQSJCH-UHFFFAOYSA-N
|
| MW [Da] |
106.12
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214438
Similarity: 0.95
Similarity to MM214438
| Tanimoto metric | 0.95 |
|---|---|
| Cosine metric | 0.9747 |
| Dice metric | 0.9744 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451074
Similarity: 0.95
Similarity to MM451074
| Tanimoto metric | 0.95 |
|---|---|
| Cosine metric | 0.9747 |
| Dice metric | 0.9744 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451045
Similarity: 0.8636
Similarity to MM451045
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
