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DocumentationIdentifier: MM385991
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385991 |
| SMILES |
CNCC(CO)CNC=O
|
| InChIKey |
XAYDFULRXWZKOX-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-1.44
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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MM198650
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Similarity to MM198650
| Tanimoto metric | 0.9189 |
|---|---|
| Cosine metric | 0.9586 |
| Dice metric | 0.9577 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8395 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.31 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7162 |
|---|---|
| Cosine metric | 0.8463 |
| Dice metric | 0.8346 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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