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DocumentationIdentifier: MM298428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298428 |
| SMILES |
C=C(C(C)=O)C(O)CCC
|
| InChIKey |
OEHAAJTZUJQOQB-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47553
Similarity: 0.8529
Similarity to MM47553
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254011
Similarity: 0.6964
Similarity to MM254011
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8211 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269017
Similarity: 0.6879
Similarity to MM269017
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8154 |
| Dice metric | 0.8151 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
