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DocumentationIdentifier: MM237791
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237791 |
| SMILES |
C=C(C#CCO)NC(C)=N
|
| InChIKey |
UMUSRIZOOHQHMG-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135942
Similarity: 0.812
Similarity to MM135942
| Tanimoto metric | 0.812 |
|---|---|
| Cosine metric | 0.9011 |
| Dice metric | 0.8962 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237790
Similarity: 0.7308
Similarity to MM237790
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8451 |
| Dice metric | 0.8444 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68752
Similarity: 0.6966
Similarity to MM68752
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.8211 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
