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DocumentationIdentifier: MM108377
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108377 |
| SMILES |
CN(C)C(=N)CCO
|
| InChIKey |
BKICVEWDJCNPEW-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
-0.09
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 | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.95 |
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MM98565
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| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8412 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.94 |
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|---|---|---|---|---|---|
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Total active interactions
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+530 more
