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DocumentationIdentifier: MM54283
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54283 |
| SMILES |
C=COCC(C=O)OC
|
| InChIKey |
UCRXRAKXDQCDPP-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM404977
Similarity: 0.8247
Similarity to MM404977
| Tanimoto metric | 0.8247 |
|---|---|
| Cosine metric | 0.9082 |
| Dice metric | 0.904 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51288
Similarity: 0.8
Similarity to MM51288
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.889 |
| Dice metric | 0.8889 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36216
Similarity: 0.75
Similarity to MM36216
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
