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DocumentationIdentifier: MM437839
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM437839 |
| SMILES |
C=CC(=CCOCC)CO
|
| InChIKey |
HCKNYCWPSUBWBU-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM438505
Similarity: 0.7374
Similarity to MM438505
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8488 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171152
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| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8356 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM387238
Similarity: 0.7115
Similarity to MM387238
| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.8323 |
| Dice metric | 0.8315 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+453 more
