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DocumentationIdentifier: MM197745
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197745 |
| SMILES |
CC(=CC=NN)NC=O
|
| InChIKey |
UITBSCUGHNNSCV-UHFFFAOYSA-N
|
| MW [Da] |
127.15
Automatically obtained from RDkit software. |
| LogP |
-0.42
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 | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.08 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8537 |
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| MW: | 145.14 |
||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
