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DocumentationIdentifier: MM77312
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77312 |
| SMILES |
C=CC(O)(C=C)CCCO
|
| InChIKey |
KIOBFQQEFSRYOV-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9217 |
| Dice metric | 0.9186 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
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Total active interactions
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MM385905
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| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8495 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
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Total active interactions
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