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DocumentationIdentifier: MM349515
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349515 |
| SMILES |
CNC(=O)C(O)C(C)C=O
|
| InChIKey |
SHOUVWZMSLYOJC-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.07
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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| Tanimoto metric | 0.7365 |
|---|---|
| Cosine metric | 0.8582 |
| Dice metric | 0.8482 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -1.32 |
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Total active interactions
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MM348908
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Similarity to MM348908
| Tanimoto metric | 0.6573 |
|---|---|
| Cosine metric | 0.7932 |
| Dice metric | 0.7932 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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