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DocumentationIdentifier: MM73162
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73162 |
| SMILES |
CCOCCC(=O)C(C)O
|
| InChIKey |
KZAZKFFRRJFARE-UHFFFAOYSA-N
|
| MW [Da] |
146.19
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
MM162393
Similarity: 0.8723
Similarity to MM162393
| Tanimoto metric | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302353
Similarity: 0.7257
Similarity to MM302353
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.841 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91181
Similarity: 0.6979
Similarity to MM91181
| Tanimoto metric | 0.6979 |
|---|---|
| Cosine metric | 0.8319 |
| Dice metric | 0.8221 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
