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DocumentationIdentifier: MM240344
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240344 |
| SMILES |
CCC=COC(C)(C)CO
|
| InChIKey |
HYTOJFIQLGAOHJ-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168107
Similarity: 0.7901
Similarity to MM168107
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8828 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60756
Similarity: 0.7889
Similarity to MM60756
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.882 |
| Dice metric | 0.882 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60782
Similarity: 0.7474
Similarity to MM60782
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8554 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+528 more
