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DocumentationIdentifier: MM83094
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83094 |
| SMILES |
CCOCC(O)CCC=O
|
| InChIKey |
DVVWFGDVXPMNFG-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291152
Similarity: 0.7326
Similarity to MM291152
| Tanimoto metric | 0.7326 |
|---|---|
| Cosine metric | 0.85 |
| Dice metric | 0.8456 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69291
Similarity: 0.7
Similarity to MM69291
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.8235 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291294
Similarity: 0.6979
Similarity to MM291294
| Tanimoto metric | 0.6979 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.8221 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+482 more
