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DocumentationIdentifier: MM02030
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02030 |
| SMILES |
O=COC(C=O)C=O
|
| InChIKey |
JYCBGJRWYSFLNC-UHFFFAOYSA-N
|
| MW [Da] |
116.07
Automatically obtained from RDkit software. |
| LogP |
-1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97982
Similarity: 0.875
Similarity to MM97982
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 102.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM434798
Similarity: 0.6857
Similarity to MM434798
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8136 |
| MW: | 130.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28580
Similarity: 0.6563
Similarity to MM28580
| Tanimoto metric | 0.6563 |
|---|---|
| Cosine metric | 0.796 |
| Dice metric | 0.7925 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
