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DocumentationIdentifier: MM347438
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM347438 |
| SMILES |
C=CC(C=C)=COC(C)=O
|
| InChIKey |
DECPZHQBQCSUJY-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146712
Similarity: 0.9091
Similarity to MM146712
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325713
Similarity: 0.7477
Similarity to MM325713
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8556 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253672
Similarity: 0.7407
Similarity to MM253672
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8511 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+257 more
