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DocumentationIdentifier: MM172426
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172426 |
| SMILES |
CN(CCN)C(=N)CN
|
| InChIKey |
GSLWOTYNCCOFJS-UHFFFAOYSA-N
|
| MW [Da] |
130.2
Automatically obtained from RDkit software. |
| LogP |
-1.19
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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MM111800
Similarity: 0.8205
Similarity to MM111800
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108217
Similarity: 0.7692
Similarity to MM108217
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM179838
Similarity: 0.6897
Similarity to MM179838
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8179 |
| Dice metric | 0.8163 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
