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DocumentationIdentifier: MM75922
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75922 |
| SMILES |
CC(O)C(=CCO)OC=O
|
| InChIKey |
AGLNYSMRINYOCU-UHFFFAOYSA-N
|
| MW [Da] |
146.14
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
MM306236
Similarity: 0.6552
Similarity to MM306236
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7918 |
| Dice metric | 0.7917 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306257
Similarity: 0.6457
Similarity to MM306257
| Tanimoto metric | 0.6457 |
|---|---|
| Cosine metric | 0.7849 |
| Dice metric | 0.7847 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75969
Similarity: 0.6457
Similarity to MM75969
| Tanimoto metric | 0.6457 |
|---|---|
| Cosine metric | 0.7849 |
| Dice metric | 0.7847 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
