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DocumentationIdentifier: MM158817
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158817 |
| SMILES |
CCC=C(C)CCC=O
|
| InChIKey |
IOMQQIPXIIKKDO-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
MM360366
Similarity: 0.9077
Similarity to MM360366
| Tanimoto metric | 0.9077 |
|---|---|
| Cosine metric | 0.9527 |
| Dice metric | 0.9516 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM113857
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| Tanimoto metric | 0.8814 |
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| Cosine metric | 0.9388 |
| Dice metric | 0.9369 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.93 |
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| AI: | 0
Total active interactions
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MM360364
Similarity: 0.8429
Similarity to MM360364
| Tanimoto metric | 0.8429 |
|---|---|
| Cosine metric | 0.9181 |
| Dice metric | 0.9147 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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