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DocumentationIdentifier: MM153216
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153216 |
| SMILES |
CCC=CCCC(C)=O
|
| InChIKey |
NBFKNCBRFJKDDR-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM105868
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| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8387 |
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| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM167376
Similarity: 0.8065
Similarity to MM167376
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.8951 |
| Dice metric | 0.8929 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+497 more
