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DocumentationIdentifier: MM279440
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279440 |
| SMILES |
CC=COCC(=O)C=CC
|
| InChIKey |
RDJILMSSBAZTKP-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157313
Similarity: 0.8667
Similarity to MM157313
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167573
Similarity: 0.8222
Similarity to MM167573
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238164
Similarity: 0.7767
Similarity to MM238164
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.8744 |
| Dice metric | 0.8743 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
