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DocumentationIdentifier: MM458462
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM458462 |
| SMILES |
O=CC#CC=CC#CC=O
|
| InChIKey |
BMKFOKRIBFDGHK-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215910
Similarity: 1
Similarity to MM215910
| Tanimoto metric | 1 |
|---|---|
| Cosine metric | 1 |
| Dice metric | 1 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM39713
Similarity: 0.9524
Similarity to MM39713
| Tanimoto metric | 0.9524 |
|---|---|
| Cosine metric | 0.9759 |
| Dice metric | 0.9756 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458458
Similarity: 0.8936
Similarity to MM458458
| Tanimoto metric | 0.8936 |
|---|---|
| Cosine metric | 0.9453 |
| Dice metric | 0.9438 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
