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DocumentationIdentifier: MM194630
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194630 |
| SMILES |
CNCC1NC1CNC
|
| InChIKey |
HWKKQQDKLRAMSW-UHFFFAOYSA-N
|
| MW [Da] |
129.21
Automatically obtained from RDkit software. |
| LogP |
-1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM127588
Similarity: 0.9759
Similarity to MM127588
| Tanimoto metric | 0.9759 |
|---|---|
| Cosine metric | 0.9879 |
| Dice metric | 0.9878 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216540
Similarity: 0.81
Similarity to MM216540
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.8981 |
| Dice metric | 0.895 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM100411
Similarity: 0.8072
Similarity to MM100411
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8933 |
| MW: | 100.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+174 more
