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DocumentationIdentifier: MM279419
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279419 |
| SMILES |
CN=CN(C)CCC=CF
|
| InChIKey |
CYENJRRSQMLKMT-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.45
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 | 0.8193 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9007 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8985 |
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| MW: | 126.2 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8643 |
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| MW: | 130.17 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.11 |
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| AI: | 0
Total active interactions
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