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DocumentationIdentifier: MM250823
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250823 |
| SMILES |
CN(CC#N)CCC(=N)N
|
| InChIKey |
XIIRYRKFFOWHOZ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144400
Similarity: 0.764
Similarity to MM144400
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8662 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152769
Similarity: 0.7191
Similarity to MM152769
| Tanimoto metric | 0.7191 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8366 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250708
Similarity: 0.701
Similarity to MM250708
| Tanimoto metric | 0.701 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8242 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+89 more
