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DocumentationIdentifier: MM355986
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355986 |
| SMILES |
O=COCC(=O)OCCO
|
| InChIKey |
YHVWZWXNLHRIAV-UHFFFAOYSA-N
|
| MW [Da] |
148.11
Automatically obtained from RDkit software. |
| LogP |
-1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156205
Similarity: 0.8649
Similarity to MM156205
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83173
Similarity: 0.8
Similarity to MM83173
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8889 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319124
Similarity: 0.8
Similarity to MM319124
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8922 |
| Dice metric | 0.8889 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
