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DocumentationIdentifier: MM389761
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389761 |
| SMILES |
C=CC(C(=N)N)C(=O)CO
|
| InChIKey |
SGMXHTKQMBKEAU-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160495
Similarity: 0.6889
Similarity to MM160495
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.8158 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389759
Similarity: 0.5991
Similarity to MM389759
| Tanimoto metric | 0.5991 |
|---|---|
| Cosine metric | 0.7498 |
| Dice metric | 0.7493 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234861
Similarity: 0.5822
Similarity to MM234861
| Tanimoto metric | 0.5822 |
|---|---|
| Cosine metric | 0.7376 |
| Dice metric | 0.7359 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+30 more
