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DocumentationIdentifier: MM233877
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233877 |
| SMILES |
CCCCC(C)(F)CC=O
|
| InChIKey |
DBKSNMPLNKFXGO-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132360
Similarity: 0.837
Similarity to MM132360
| Tanimoto metric | 0.837 |
|---|---|
| Cosine metric | 0.9149 |
| Dice metric | 0.9112 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239385
Similarity: 0.7551
Similarity to MM239385
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.8626 |
| Dice metric | 0.8605 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221716
Similarity: 0.7453
Similarity to MM221716
| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8541 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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