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DocumentationIdentifier: MM181004
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM181004 |
| SMILES |
CCC(C(=O)O)C(C)F
|
| InChIKey |
CEZIFAPSCHJCGH-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
1.46
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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MM308115
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| Tanimoto metric | 0.8504 |
|---|---|
| Cosine metric | 0.9222 |
| Dice metric | 0.9191 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM308088
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| Tanimoto metric | 0.777 |
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| Cosine metric | 0.8815 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.7 |
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|---|---|---|---|---|---|
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MM306760
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Similarity to MM306760
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+274 more
