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DocumentationIdentifier: MM136504
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM136504 |
| SMILES |
CC(=CC(=N)N)NC=N
|
| InChIKey |
NKBOEYMEXIWDTL-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.02
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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MM267727
Similarity: 0.822
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| Tanimoto metric | 0.822 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9023 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM274718
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| Tanimoto metric | 0.7405 |
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| Cosine metric | 0.8605 |
| Dice metric | 0.8509 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.19 |
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|---|---|---|---|---|---|
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Total active interactions
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MM274597
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| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8605 |
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| MW: | 141.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+30 more
