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DocumentationIdentifier: MM279268
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279268 |
| SMILES |
CNCCNC(=N)C=CN
|
| InChIKey |
KDXXZTVOVSXJQH-UHFFFAOYSA-N
|
| MW [Da] |
142.21
Automatically obtained from RDkit software. |
| LogP |
-0.75
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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MM157264
Similarity: 0.8876
Similarity to MM157264
| Tanimoto metric | 0.8876 |
|---|---|
| Cosine metric | 0.9421 |
| Dice metric | 0.9405 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360489
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| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8541 |
| MW: | 144.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM365601
Similarity: 0.7419
Similarity to MM365601
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8519 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+406 more
