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DocumentationIdentifier: MM405112
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405112 |
| SMILES |
C#CC(CNC=NC)NC
|
| InChIKey |
HQZXOVCTTIIIKW-UHFFFAOYSA-N
|
| MW [Da] |
139.2
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 |
Similar entries
MM199112
Similarity: 0.8333
Similarity to MM199112
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM167348
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| Tanimoto metric | 0.7917 |
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| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM387786
Similarity: 0.7407
Similarity to MM387786
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8511 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
