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DocumentationIdentifier: MM58387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58387 |
| SMILES |
C#CC(O)(C#C)CC(C)=O
|
| InChIKey |
CAHXBXLMDBLGFH-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40117
Similarity: 0.8824
Similarity to MM40117
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227143
Similarity: 0.7
Similarity to MM227143
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8254 |
| Dice metric | 0.8235 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221958
Similarity: 0.6908
Similarity to MM221958
| Tanimoto metric | 0.6908 |
|---|---|
| Cosine metric | 0.8194 |
| Dice metric | 0.8171 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+140 more
