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DocumentationIdentifier: MM379941
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379941 |
| SMILES |
C=CC(C=CC)C(=C)C=O
|
| InChIKey |
ANHVURRTQIYFGW-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174279
Similarity: 0.8763
Similarity to MM174279
| Tanimoto metric | 0.8763 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.9341 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356430
Similarity: 0.789
Similarity to MM356430
| Tanimoto metric | 0.789 |
|---|---|
| Cosine metric | 0.8821 |
| Dice metric | 0.8821 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356358
Similarity: 0.7658
Similarity to MM356358
| Tanimoto metric | 0.7658 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.8673 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+203 more
