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DocumentationIdentifier: MM235272
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235272 |
| SMILES |
C=CCOC(C)(C)C(C)=O
|
| InChIKey |
GKWNXFUNCIOUTB-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM222196
Similarity: 0.7442
Similarity to MM222196
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8533 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308836
Similarity: 0.7422
Similarity to MM308836
| Tanimoto metric | 0.7422 |
|---|---|
| Cosine metric | 0.8531 |
| Dice metric | 0.852 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235273
Similarity: 0.7385
Similarity to MM235273
| Tanimoto metric | 0.7385 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.8496 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
