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DocumentationIdentifier: MM114622
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114622 |
| SMILES |
C=CC#CC(=O)C=C
|
| InChIKey |
RQGHVHWCRMLOJO-UHFFFAOYSA-N
|
| MW [Da] |
106.12
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM26755
Similarity: 0.807
Similarity to MM26755
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 94.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170832
Similarity: 0.8028
Similarity to MM170832
| Tanimoto metric | 0.8028 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8906 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158704
Similarity: 0.76
Similarity to MM158704
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
