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DocumentationIdentifier: MM268827
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268827 |
| SMILES |
C=C(CO)C(O)CC(C)=O
|
| InChIKey |
IZUBSGYUCKHOOC-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133713
Similarity: 0.7669
Similarity to MM133713
| Tanimoto metric | 0.7669 |
|---|---|
| Cosine metric | 0.8757 |
| Dice metric | 0.8681 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268826
Similarity: 0.6842
Similarity to MM268826
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8131 |
| Dice metric | 0.8125 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298261
Similarity: 0.6797
Similarity to MM298261
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.8093 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
