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DocumentationIdentifier: MM387768
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387768 |
| SMILES |
C#CC(CC=O)CCC=O
|
| InChIKey |
GBJPNHJFUNXYDF-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199097
Similarity: 0.831
Similarity to MM199097
| Tanimoto metric | 0.831 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9077 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387654
Similarity: 0.7763
Similarity to MM387654
| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8741 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377079
Similarity: 0.7647
Similarity to MM377079
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8679 |
| Dice metric | 0.8667 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
