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DocumentationIdentifier: MM267727
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267727 |
| SMILES |
CNC(=N)C=C(C)NC=N
|
| InChIKey |
IVRLZOCLQJFAKD-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.28
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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MM136504
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| Tanimoto metric | 0.822 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9023 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM274718
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| Tanimoto metric | 0.66 |
|---|---|
| Cosine metric | 0.7963 |
| Dice metric | 0.7952 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM223537
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Similarity to MM223537
| Tanimoto metric | 0.6513 |
|---|---|
| Cosine metric | 0.7903 |
| Dice metric | 0.7888 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+193 more
