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DocumentationIdentifier: MM155725
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155725 |
| SMILES |
CCCC(C)CCC=O
|
| InChIKey |
KQXBFBQRLHMLIS-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
2.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112626
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| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM165659
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| Tanimoto metric | 0.8222 |
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| Cosine metric | 0.9024 |
| Dice metric | 0.9024 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM198627
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Similarity to MM198627
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.889 |
| Dice metric | 0.8889 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+316 more
