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DocumentationIdentifier: MM292563
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292563 |
| SMILES |
C=CC#CC=C(F)C#CC
|
| InChIKey |
JZVDULNBTRVEPQ-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171713
Similarity: 0.8873
Similarity to MM171713
| Tanimoto metric | 0.8873 |
|---|---|
| Cosine metric | 0.942 |
| Dice metric | 0.9403 |
| MW: | 120.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159885
Similarity: 0.8732
Similarity to MM159885
| Tanimoto metric | 0.8732 |
|---|---|
| Cosine metric | 0.9345 |
| Dice metric | 0.9323 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361222
Similarity: 0.8701
Similarity to MM361222
| Tanimoto metric | 0.8701 |
|---|---|
| Cosine metric | 0.9306 |
| Dice metric | 0.9306 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+531 more
