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DocumentationIdentifier: MM150668
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150668 |
| SMILES |
CCN(C=O)C=C(C)C
|
| InChIKey |
KJHTWRCYNBNOQJ-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.39
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 | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8788 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM116293
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|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+339 more
