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DocumentationIdentifier: MM312641
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312641 |
| SMILES |
C=CC(CO)(CO)OC=O
|
| InChIKey |
WSHSBKLAOMVUHM-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139422
Similarity: 0.8407
Similarity to MM139422
| Tanimoto metric | 0.8407 |
|---|---|
| Cosine metric | 0.9169 |
| Dice metric | 0.9135 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139297
Similarity: 0.6195
Similarity to MM139297
| Tanimoto metric | 0.6195 |
|---|---|
| Cosine metric | 0.7871 |
| Dice metric | 0.765 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312461
Similarity: 0.5983
Similarity to MM312461
| Tanimoto metric | 0.5983 |
|---|---|
| Cosine metric | 0.7655 |
| Dice metric | 0.7487 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+105 more
