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DocumentationIdentifier: MM322403
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM322403 |
| SMILES |
C=CC(=O)C=CC(=O)C=C
|
| InChIKey |
ODBDXKPHRXKFCM-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169992
Similarity: 0.8814
Similarity to MM169992
| Tanimoto metric | 0.8814 |
|---|---|
| Cosine metric | 0.9388 |
| Dice metric | 0.9369 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252507
Similarity: 0.8507
Similarity to MM252507
| Tanimoto metric | 0.8507 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9194 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM365215
Similarity: 0.8
Similarity to MM365215
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8889 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+87 more
