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DocumentationIdentifier: MM288389
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288389 |
| SMILES |
CC#CC#CCOC(C)=O
|
| InChIKey |
PCKLRQVFMZJRDZ-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153523
Similarity: 0.9265
Similarity to MM153523
| Tanimoto metric | 0.9265 |
|---|---|
| Cosine metric | 0.9625 |
| Dice metric | 0.9618 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105957
Similarity: 0.7941
Similarity to MM105957
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371282
Similarity: 0.7875
Similarity to MM371282
| Tanimoto metric | 0.7875 |
|---|---|
| Cosine metric | 0.8822 |
| Dice metric | 0.8811 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+188 more
