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DocumentationIdentifier: MM228041
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228041 |
| SMILES |
CCC(C)(O)COC(C)=O
|
| InChIKey |
BTIXKTULYUKLCG-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40020
Similarity: 0.686
Similarity to MM40020
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8282 |
| Dice metric | 0.8137 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254613
Similarity: 0.6716
Similarity to MM254613
| Tanimoto metric | 0.6716 |
|---|---|
| Cosine metric | 0.8062 |
| Dice metric | 0.8036 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308134
Similarity: 0.6343
Similarity to MM308134
| Tanimoto metric | 0.6343 |
|---|---|
| Cosine metric | 0.7806 |
| Dice metric | 0.7763 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
