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DocumentationIdentifier: MM283212
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283212 |
| SMILES |
C=CCC#CC(=O)C=CC
|
| InChIKey |
QXAGNDSGPSKLGP-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158690
Similarity: 0.925
Similarity to MM158690
| Tanimoto metric | 0.925 |
|---|---|
| Cosine metric | 0.9618 |
| Dice metric | 0.961 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253010
Similarity: 0.8667
Similarity to MM253010
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9296 |
| Dice metric | 0.9286 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283213
Similarity: 0.8333
Similarity to MM283213
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9091 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+589 more
