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DocumentationIdentifier: MM263739
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263739 |
| SMILES |
C=CCC(=C)OC(=O)C=C
|
| InChIKey |
QTHMDHWMUWDVKQ-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
MM142761
Similarity: 0.8487
Similarity to MM142761
| Tanimoto metric | 0.8487 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9182 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135661
Similarity: 0.7815
Similarity to MM135661
| Tanimoto metric | 0.7815 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.8774 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263498
Similarity: 0.7185
Similarity to MM263498
| Tanimoto metric | 0.7185 |
|---|---|
| Cosine metric | 0.8365 |
| Dice metric | 0.8362 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
