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DocumentationIdentifier: MM201291
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM201291 |
| SMILES |
C#CC#CC(C#N)CC
|
| InChIKey |
YVHZWYIPKHAUQG-UHFFFAOYSA-N
|
| MW [Da] |
117.15
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM433763
Similarity: 0.8765
Similarity to MM433763
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9342 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380153
Similarity: 0.8353
Similarity to MM380153
| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9103 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15282
Similarity: 0.7887
Similarity to MM15282
| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8881 |
| Dice metric | 0.8819 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+655 more
