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DocumentationIdentifier: MM316273
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM316273 |
| SMILES |
CCC(=O)CCC(C)CC
|
| InChIKey |
JKCBSCZEUOCWHW-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM250603
Similarity: 0.8571
Similarity to MM250603
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9247 |
| Dice metric | 0.9231 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144221
Similarity: 0.8387
Similarity to MM144221
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144596
Similarity: 0.7903
Similarity to MM144596
| Tanimoto metric | 0.7903 |
|---|---|
| Cosine metric | 0.889 |
| Dice metric | 0.8829 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+362 more
