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DocumentationIdentifier: MM234689
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234689 |
| SMILES |
CCC(C)C(C)(F)C(C)=O
|
| InChIKey |
QBKQPQHHDIFIDV-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM234790
Similarity: 0.7516
Similarity to MM234790
| Tanimoto metric | 0.7516 |
|---|---|
| Cosine metric | 0.8582 |
| Dice metric | 0.8582 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225592
Similarity: 0.7484
Similarity to MM225592
| Tanimoto metric | 0.7484 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8561 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132686
Similarity: 0.7333
Similarity to MM132686
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
