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DocumentationIdentifier: MM368838
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368838 |
| SMILES |
C=CC=CC#CC(=C)C=O
|
| InChIKey |
NVKAGJBJXZUCLY-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170828
Similarity: 0.8718
Similarity to MM170828
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9337 |
| Dice metric | 0.9315 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368804
Similarity: 0.814
Similarity to MM368804
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.8974 |
| Dice metric | 0.8974 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368863
Similarity: 0.7907
Similarity to MM368863
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.8831 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
