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DocumentationIdentifier: MM25824
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM25824 |
| SMILES |
CC(O)COC=O
|
| InChIKey |
CRMUFGZQBODVGS-UHFFFAOYSA-N
|
| MW [Da] |
104.11
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112695
Similarity: 0.7692
Similarity to MM112695
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28429
Similarity: 0.7273
Similarity to MM28429
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36126
Similarity: 0.7143
Similarity to MM36126
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+334 more
