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DocumentationIdentifier: MM305736
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305736 |
| SMILES |
CCCC=CC(C)N(C)C
|
| InChIKey |
YYEPTVUIPMDLIH-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.29
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 | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7922 |
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| Cosine metric | 0.8901 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
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MM91010
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| Tanimoto metric | 0.7791 |
|---|---|
| Cosine metric | 0.8758 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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