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DocumentationIdentifier: MM217037
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM217037 |
| SMILES |
C#CC1NC1CC#CC
|
| InChIKey |
FDXFYQRXXHRYGK-UHFFFAOYSA-N
|
| MW [Da] |
119.17
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM447937
Similarity: 0.9583
Similarity to MM447937
| Tanimoto metric | 0.9583 |
|---|---|
| Cosine metric | 0.9789 |
| Dice metric | 0.9787 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447939
Similarity: 0.9055
Similarity to MM447939
| Tanimoto metric | 0.9055 |
|---|---|
| Cosine metric | 0.9516 |
| Dice metric | 0.9504 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441262
Similarity: 0.8915
Similarity to MM441262
| Tanimoto metric | 0.8915 |
|---|---|
| Cosine metric | 0.9442 |
| Dice metric | 0.9426 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+285 more
