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DocumentationIdentifier: MM107269
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107269 |
| SMILES |
CC(CC=O)NC=O
|
| InChIKey |
RRZUTPNENBPLCO-UHFFFAOYSA-N
|
| MW [Da] |
115.13
Automatically obtained from RDkit software. |
| LogP |
-0.29
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 | 0.6951 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8201 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Dice metric | 0.8201 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.05 |
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Total active interactions
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MM294678
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| Tanimoto metric | 0.6628 |
|---|---|
| Cosine metric | 0.8141 |
| Dice metric | 0.7972 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+110 more
