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DocumentationIdentifier: MM224712
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224712 |
| SMILES |
CC(C)(C)CCC(F)C=O
|
| InChIKey |
HSWVHKPBCXRWRI-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.35
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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MM315479
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| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8318 |
| Dice metric | 0.8312 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.71 |
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Total active interactions
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MM112779
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| Tanimoto metric | 0.6757 |
|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+266 more
