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DocumentationIdentifier: MM453698
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453698 |
| SMILES |
CC#CC=CCC#CC=O
|
| InChIKey |
QTGHOJXGXXQBNC-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214649
Similarity: 0.931
Similarity to MM214649
| Tanimoto metric | 0.931 |
|---|---|
| Cosine metric | 0.9649 |
| Dice metric | 0.9643 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458034
Similarity: 0.871
Similarity to MM458034
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.931 |
| Dice metric | 0.931 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215858
Similarity: 0.8065
Similarity to MM215858
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8929 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+716 more
