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DocumentationIdentifier: MM180150
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180150 |
| SMILES |
CC=CC(CN)C(=N)N
|
| InChIKey |
DESBWAPUEDGBLA-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.07
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 | 0.8396 |
|---|---|
| Cosine metric | 0.9163 |
| Dice metric | 0.9128 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.46 |
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|---|---|
| Cosine metric | 0.8676 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+388 more
