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DocumentationIdentifier: MM142220
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142220 |
| SMILES |
O=CC(O)CC(=O)CF
|
| InChIKey |
VZFOOBNDRHOFHJ-UHFFFAOYSA-N
|
| MW [Da] |
134.11
Automatically obtained from RDkit software. |
| LogP |
-0.53
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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MM104434
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| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8478 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.13 |
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|---|---|---|---|---|---|
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Total active interactions
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MM246112
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| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.8286 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+113 more
