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DocumentationIdentifier: MM365020
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365020 |
| SMILES |
CNC(=N)CCNCC#N
|
| InChIKey |
LETJCIJKYCTEML-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.31
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: 0.8205
Similarity to MM152769
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355845
Similarity: 0.7826
Similarity to MM355845
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8791 |
| Dice metric | 0.878 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364501
Similarity: 0.75
Similarity to MM364501
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8571 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+425 more
