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DocumentationIdentifier: MM344029
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM344029 |
| SMILES |
C=CC(C=C)C=CC(C)=O
|
| InChIKey |
MGMMHYKDSAWJFC-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
MM145589
Similarity: 0.9403
Similarity to MM145589
| Tanimoto metric | 0.9403 |
|---|---|
| Cosine metric | 0.9697 |
| Dice metric | 0.9692 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252429
Similarity: 0.84
Similarity to MM252429
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9134 |
| Dice metric | 0.913 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM322068
Similarity: 0.8182
Similarity to MM322068
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9008 |
| Dice metric | 0.9 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+417 more
