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DocumentationIdentifier: MM295802
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295802 |
| SMILES |
CC#CC(O)C(F)C#CC
|
| InChIKey |
NGRPQZLDAHRUNL-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15335
Similarity: 0.8839
Similarity to MM15335
| Tanimoto metric | 0.8839 |
|---|---|
| Cosine metric | 0.9402 |
| Dice metric | 0.9384 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174610
Similarity: 0.8839
Similarity to MM174610
| Tanimoto metric | 0.8839 |
|---|---|
| Cosine metric | 0.9402 |
| Dice metric | 0.9384 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358047
Similarity: 0.8306
Similarity to MM358047
| Tanimoto metric | 0.8306 |
|---|---|
| Cosine metric | 0.9076 |
| Dice metric | 0.9075 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+464 more
