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DocumentationIdentifier: MM320326
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320326 |
| SMILES |
C=COC(=C)C=CCCO
|
| InChIKey |
OQVILXXNTUVWKD-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM319660
Similarity: 0.8313
Similarity to MM319660
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9079 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281975
Similarity: 0.8022
Similarity to MM281975
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8902 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM281999
Similarity: 0.71
Similarity to MM281999
| Tanimoto metric | 0.71 |
|---|---|
| Cosine metric | 0.8308 |
| Dice metric | 0.8304 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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