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DocumentationIdentifier: MM41747
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41747 |
| SMILES |
CC(C#N)(CO)NC=N
|
| InChIKey |
IIZXMOIXSAUXDO-UHFFFAOYSA-N
|
| MW [Da] |
127.15
Automatically obtained from RDkit software. |
| LogP |
-0.54
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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MM24748
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| Tanimoto metric | 0.8448 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9159 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7538 |
|---|---|
| Cosine metric | 0.8682 |
| Dice metric | 0.8596 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM43120
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Similarity to MM43120
| Tanimoto metric | 0.7259 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8412 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
