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DocumentationIdentifier: MM316166
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM316166 |
| SMILES |
C#CC(F)CCC(F)C=O
|
| InChIKey |
GVTQPCTYABAEMA-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166195
Similarity: 0.7473
Similarity to MM166195
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144131
Similarity: 0.6813
Similarity to MM144131
| Tanimoto metric | 0.6813 |
|---|---|
| Cosine metric | 0.8254 |
| Dice metric | 0.8105 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144204
Similarity: 0.6703
Similarity to MM144204
| Tanimoto metric | 0.6703 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8026 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
