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DocumentationIdentifier: MM297708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297708 |
| SMILES |
CCC(CC)C(C)C(C)=O
|
| InChIKey |
WZVCAPFOALTDCK-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160088
Similarity: 0.9167
Similarity to MM160088
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253874
Similarity: 0.7882
Similarity to MM253874
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.8816 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348710
Similarity: 0.75
Similarity to MM348710
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8571 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+598 more
