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DocumentationIdentifier: MM348330
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348330 |
| SMILES |
CCC(F)C(C)C(C)C=O
|
| InChIKey |
DVNWAAKAYIWZGS-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.21
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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MM160007
Similarity: 0.7905
Similarity to MM160007
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.883 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171917
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Similarity to MM171917
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM244777
Similarity: 0.6937
Similarity to MM244777
| Tanimoto metric | 0.6937 |
|---|---|
| Cosine metric | 0.8248 |
| Dice metric | 0.8191 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
