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DocumentationIdentifier: MM223877
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223877 |
| SMILES |
CCC(C)C(=O)C(C)(C)O
|
| InChIKey |
WDWONDBTCRCRKZ-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM225715
Similarity: 0.7852
Similarity to MM225715
| Tanimoto metric | 0.7852 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8797 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40282
Similarity: 0.7583
Similarity to MM40282
| Tanimoto metric | 0.7583 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8626 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350981
Similarity: 0.7206
Similarity to MM350981
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.8376 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
