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DocumentationIdentifier: MM199009
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199009 |
| SMILES |
O=CCOC(C=O)CO
|
| InChIKey |
HATUQJXYFABJDZ-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116033
Similarity: 0.8676
Similarity to MM116033
| Tanimoto metric | 0.8676 |
|---|---|
| Cosine metric | 0.9315 |
| Dice metric | 0.9291 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198868
Similarity: 0.8514
Similarity to MM198868
| Tanimoto metric | 0.8514 |
|---|---|
| Cosine metric | 0.9197 |
| Dice metric | 0.9197 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326796
Similarity: 0.8228
Similarity to MM326796
| Tanimoto metric | 0.8228 |
|---|---|
| Cosine metric | 0.9042 |
| Dice metric | 0.9028 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
