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DocumentationIdentifier: MM43910
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43910 |
| SMILES |
C=CC(=O)CNC(C)=O
|
| InChIKey |
IBFPKXBZQZEWGJ-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
-0.12
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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MM287236
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| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.8969 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8736 |
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| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.15 |
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Total active interactions
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| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
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| MW: | 137.14 |
||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+67 more
