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DocumentationIdentifier: MM170886
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170886 |
| SMILES |
C=CC(=O)C#CC#CC
|
| InChIKey |
VZUNVWHDMFJFPL-UHFFFAOYSA-N
|
| MW [Da] |
118.14
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM369444
Similarity: 0.9459
Similarity to MM369444
| Tanimoto metric | 0.9459 |
|---|---|
| Cosine metric | 0.9726 |
| Dice metric | 0.9722 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369412
Similarity: 0.9459
Similarity to MM369412
| Tanimoto metric | 0.9459 |
|---|---|
| Cosine metric | 0.9726 |
| Dice metric | 0.9722 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369466
Similarity: 0.8974
Similarity to MM369466
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
