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DocumentationIdentifier: MM252709
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252709 |
| SMILES |
CC(=O)C#CC(F)CCF
|
| InChIKey |
YJVIUWWOZVCIOD-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146018
Similarity: 0.8144
Similarity to MM146018
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8977 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252708
Similarity: 0.7431
Similarity to MM252708
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8526 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252780
Similarity: 0.7143
Similarity to MM252780
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8333 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
