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DocumentationIdentifier: MM318339
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318339 |
| SMILES |
C#CC(C)CNC(=N)CN
|
| InChIKey |
RBXKDRKAWUFJRU-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144553
Similarity: 0.7835
Similarity to MM144553
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8786 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166787
Similarity: 0.7629
Similarity to MM166787
| Tanimoto metric | 0.7629 |
|---|---|
| Cosine metric | 0.8734 |
| Dice metric | 0.8655 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144632
Similarity: 0.732
Similarity to MM144632
| Tanimoto metric | 0.732 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8452 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+460 more
