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DocumentationIdentifier: MM359777
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM359777 |
| SMILES |
C=CC#CC(=O)C=CC=O
|
| InChIKey |
AGOVSMSMKZZPNP-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158704
Similarity: 0.8721
Similarity to MM158704
| Tanimoto metric | 0.8721 |
|---|---|
| Cosine metric | 0.9339 |
| Dice metric | 0.9317 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158277
Similarity: 0.8488
Similarity to MM158277
| Tanimoto metric | 0.8488 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9182 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359719
Similarity: 0.8105
Similarity to MM359719
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8953 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+295 more
