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DocumentationIdentifier: MM109165
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM109165 |
| SMILES |
C=C(C)C(=O)C(C)C
|
| InChIKey |
UOJLCZCVCRDIHL-UHFFFAOYSA-N
|
| MW [Da] |
112.17
Automatically obtained from RDkit software. |
| LogP |
1.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM129917
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| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM161156
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| Cosine metric | 0.8694 |
| Dice metric | 0.8609 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.18 |
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MM161231
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Similarity to MM161231
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
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| AI: | 0
Total active interactions
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