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DocumentationIdentifier: MM367015
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367015 |
| SMILES |
C=CC#CC=CC(=C)C#N
|
| InChIKey |
OJYLVIOTCMDGGK-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170300
Similarity: 0.9367
Similarity to MM170300
| Tanimoto metric | 0.9367 |
|---|---|
| Cosine metric | 0.9678 |
| Dice metric | 0.9673 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366994
Similarity: 0.8736
Similarity to MM366994
| Tanimoto metric | 0.8736 |
|---|---|
| Cosine metric | 0.933 |
| Dice metric | 0.9325 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367045
Similarity: 0.8132
Similarity to MM367045
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.897 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+263 more
