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DocumentationIdentifier: MM252507
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252507 |
| SMILES |
CC=CC(=O)C=CC(C)=O
|
| InChIKey |
YUICYKJDEAYVJJ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM322403
Similarity: 0.8507
Similarity to MM322403
| Tanimoto metric | 0.8507 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9194 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365215
Similarity: 0.8358
Similarity to MM365215
| Tanimoto metric | 0.8358 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9106 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158203
Similarity: 0.8
Similarity to MM158203
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+257 more
