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DocumentationIdentifier: MM162069
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162069 |
| SMILES |
C=COCC(F)C(C)C
|
| InChIKey |
KSRIDHSRHDRZFP-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
2.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112697
Similarity: 0.8026
Similarity to MM112697
| Tanimoto metric | 0.8026 |
|---|---|
| Cosine metric | 0.8959 |
| Dice metric | 0.8905 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155775
Similarity: 0.6813
Similarity to MM155775
| Tanimoto metric | 0.6813 |
|---|---|
| Cosine metric | 0.8105 |
| Dice metric | 0.8105 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM155777
Similarity: 0.663
Similarity to MM155777
| Tanimoto metric | 0.663 |
|---|---|
| Cosine metric | 0.7974 |
| Dice metric | 0.7974 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+589 more
