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DocumentationIdentifier: MM322352
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM322352 |
| SMILES |
C=CC(=O)C=CC(=C)OC
|
| InChIKey |
PHJAIHFVLRHMBE-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145801
Similarity: 0.8302
Similarity to MM145801
| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9111 |
| Dice metric | 0.9072 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252372
Similarity: 0.7213
Similarity to MM252372
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8381 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM344486
Similarity: 0.6692
Similarity to MM344486
| Tanimoto metric | 0.6692 |
|---|---|
| Cosine metric | 0.8026 |
| Dice metric | 0.8018 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
