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DocumentationIdentifier: MM393340
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393340 |
| SMILES |
C=CN(CCCF)C(C)=O
|
| InChIKey |
QPSFOQCYTNTPRV-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.34
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 | 0.7851 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8796 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6942 |
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| Cosine metric | 0.8332 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.82 |
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Total active interactions
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|---|---|
| Cosine metric | 0.8232 |
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| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+313 more
