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DocumentationIdentifier: MM281360
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281360 |
| SMILES |
CC#CC(=O)CC#CC#N
|
| InChIKey |
YVPXMKCIHOAJFE-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15766
Similarity: 0.8961
Similarity to MM15766
| Tanimoto metric | 0.8961 |
|---|---|
| Cosine metric | 0.9466 |
| Dice metric | 0.9452 |
| MW: | 117.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359273
Similarity: 0.8902
Similarity to MM359273
| Tanimoto metric | 0.8902 |
|---|---|
| Cosine metric | 0.942 |
| Dice metric | 0.9419 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15590
Similarity: 0.8293
Similarity to MM15590
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.907 |
| Dice metric | 0.9067 |
| MW: | 117.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
