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DocumentationIdentifier: MM257987
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM257987 |
| SMILES |
CC(C#N)NCCC(=N)N
|
| InChIKey |
PLUJQKVFDWZGBF-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM152769
Similarity: 0.7529
Similarity to MM152769
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8591 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133064
Similarity: 0.7059
Similarity to MM133064
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM363701
Similarity: 0.6629
Similarity to MM363701
| Tanimoto metric | 0.6629 |
|---|---|
| Cosine metric | 0.8063 |
| Dice metric | 0.7973 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
