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DocumentationIdentifier: MM334404
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334404 |
| SMILES |
C=CC(=C)CC(C=O)=CC
|
| InChIKey |
FPERDPUZPZVEQC-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150496
Similarity: 0.7545
Similarity to MM150496
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8601 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334401
Similarity: 0.754
Similarity to MM334401
| Tanimoto metric | 0.754 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.8597 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264537
Similarity: 0.6992
Similarity to MM264537
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.823 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+291 more
