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DocumentationIdentifier: MM179636
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179636 |
| SMILES |
CC(C)C(CF)CC=O
|
| InChIKey |
KQPYOLYSAGVACR-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
MM196858
Similarity: 0.8108
Similarity to MM196858
| 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
|
MM306677
Similarity: 0.7529
Similarity to MM306677
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8591 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM115951
Similarity: 0.75
Similarity to MM115951
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
