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DocumentationIdentifier: MM320557
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320557 |
| SMILES |
CC=C(C)OCC(=O)OC
|
| InChIKey |
NNOYUXHVACERHC-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
1.1
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 | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8359 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.22 |
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| Tanimoto metric | 0.7063 |
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| Cosine metric | 0.8281 |
| Dice metric | 0.8279 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+60 more
