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DocumentationIdentifier: MM196858
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196858 |
| SMILES |
CCC(CF)C(C)C=O
|
| InChIKey |
PNUFEVVPMCXAFL-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
1.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196926
Similarity: 0.8421
Similarity to MM196926
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9143 |
| Dice metric | 0.9143 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179636
Similarity: 0.8108
Similarity to MM179636
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.8964 |
| Dice metric | 0.8955 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376440
Similarity: 0.7711
Similarity to MM376440
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8717 |
| Dice metric | 0.8707 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+551 more
