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DocumentationIdentifier: MM419390
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM419390 |
| SMILES |
CC(O)(CC#N)CC(=O)O
|
| InChIKey |
YVLRCNSFUKRWAO-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM220829
Similarity: 0.6906
Similarity to MM220829
| Tanimoto metric | 0.6906 |
|---|---|
| Cosine metric | 0.8233 |
| Dice metric | 0.817 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM416973
Similarity: 0.6667
Similarity to MM416973
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220831
Similarity: 0.6178
Similarity to MM220831
| Tanimoto metric | 0.6178 |
|---|---|
| Cosine metric | 0.7644 |
| Dice metric | 0.7638 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
