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DocumentationIdentifier: MM245990
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245990 |
| SMILES |
CCC(C)CC(=O)C(C)C
|
| InChIKey |
DCLDMUUIFULKAP-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
MM262403
Similarity: 0.831
Similarity to MM262403
| Tanimoto metric | 0.831 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.9077 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141921
Similarity: 0.8261
Similarity to MM141921
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172320
Similarity: 0.7808
Similarity to MM172320
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8769 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+464 more
