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DocumentationIdentifier: MM180237
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180237 |
| SMILES |
C#CC(C=NN)C(=N)N
|
| InChIKey |
XVMHIJFJEAILFP-UHFFFAOYSA-N
|
| MW [Da] |
124.15
Automatically obtained from RDkit software. |
| LogP |
-0.88
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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MM91793
Similarity: 0.822
Similarity to MM91793
| Tanimoto metric | 0.822 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9023 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM91935
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| Tanimoto metric | 0.7405 |
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| Cosine metric | 0.8605 |
| Dice metric | 0.8509 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108626
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Similarity to MM108626
| Tanimoto metric | 0.6598 |
|---|---|
| Cosine metric | 0.8123 |
| Dice metric | 0.795 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+35 more
