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DocumentationIdentifier: MM198704
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198704 |
| SMILES |
COC(CO)COC=O
|
| InChIKey |
CNCPDBXIWKALTE-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
-0.83
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: 0.7647
Similarity to MM112695
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155788
Similarity: 0.7027
Similarity to MM155788
| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.828 |
| Dice metric | 0.8254 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340632
Similarity: 0.68
Similarity to MM340632
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8095 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+519 more
