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DocumentationIdentifier: MM173509
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173509 |
| SMILES |
C#CCC(=N)N(C)C=C
|
| InChIKey |
XHUGLDPTCFPBQI-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.06
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 | 0.7886 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8818 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.31 |
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Total active interactions
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|---|---|
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.11 |
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+266 more
