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DocumentationIdentifier: MM199587
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199587 |
| SMILES |
C#CC(CO)NC=NC
|
| InChIKey |
KSQRWFKYAKYVGW-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
-0.77
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 | 0.8763 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.9341 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8944 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.82 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM389528
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| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.8831 |
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| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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