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DocumentationIdentifier: MM388866
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388866 |
| SMILES |
C=CN(C=NC)CCCC
|
| InChIKey |
CAGWIJJPYWEXFB-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178238
Similarity: 0.8144
Similarity to MM178238
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8977 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199196
Similarity: 0.7835
Similarity to MM199196
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8786 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404134
Similarity: 0.713
Similarity to MM404134
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8324 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
