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DocumentationIdentifier: MM334369
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334369 |
| SMILES |
C=C(CC)OC(C=O)=CN
|
| InChIKey |
IKSJUPBPWMQRAR-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.93
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 | 0.744 |
|---|---|
| Cosine metric | 0.8626 |
| Dice metric | 0.8532 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.64 |
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| Tanimoto metric | 0.6424 |
|---|---|
| Cosine metric | 0.7823 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.7 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+139 more
