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DocumentationIdentifier: MM265041
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM265041 |
| SMILES |
CC=C(C)CC(=O)CCC
|
| InChIKey |
XOMXXRKUIWPDKT-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143065
Similarity: 0.8817
Similarity to MM143065
| Tanimoto metric | 0.8817 |
|---|---|
| Cosine metric | 0.939 |
| Dice metric | 0.9371 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM248444
Similarity: 0.7455
Similarity to MM248444
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8542 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265797
Similarity: 0.7069
Similarity to MM265797
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8283 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+625 more
