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DocumentationIdentifier: MM15766
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15766 |
| SMILES |
C#CC(=O)CC#CC#N
|
| InChIKey |
HYGYPUSOZNGWIA-UHFFFAOYSA-N
|
| MW [Da] |
117.11
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM281360
Similarity: 0.8961
Similarity to MM281360
| Tanimoto metric | 0.8961 |
|---|---|
| Cosine metric | 0.9466 |
| Dice metric | 0.9452 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359273
Similarity: 0.7927
Similarity to MM359273
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8844 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106186
Similarity: 0.7826
Similarity to MM106186
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 107.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+125 more
