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DocumentationIdentifier: MM74902
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM74902 |
| SMILES |
C#CC(NC=N)C(=N)NC
|
| InChIKey |
WPBRZCMZAZUOHA-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180077
Similarity: 0.781
Similarity to MM180077
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.877 |
| MW: | 124.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172562
Similarity: 0.6861
Similarity to MM172562
| Tanimoto metric | 0.6861 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8139 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78047
Similarity: 0.6124
Similarity to MM78047
| Tanimoto metric | 0.6124 |
|---|---|
| Cosine metric | 0.7604 |
| Dice metric | 0.7596 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+18 more
