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DocumentationIdentifier: MM59746
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59746 |
| SMILES |
CNN=CC=C(C)NC=O
|
| InChIKey |
WAYLANCQVFBGEE-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.16
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: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6565 |
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| Cosine metric | 0.7941 |
| Dice metric | 0.7926 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6418 |
|---|---|
| Cosine metric | 0.7839 |
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| MW: | 145.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+24 more
