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DocumentationIdentifier: MM254834
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254834 |
| SMILES |
C=C(C)C(C)OCC(C)=O
|
| InChIKey |
KIYALCPTAPTSTB-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
MM162320
Similarity: 0.7807
Similarity to MM162320
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8768 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341051
Similarity: 0.7787
Similarity to MM341051
| Tanimoto metric | 0.7787 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8756 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254835
Similarity: 0.7176
Similarity to MM254835
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8356 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
