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DocumentationIdentifier: MM173122
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173122 |
| SMILES |
C=CNC(=O)C(O)CC
|
| InChIKey |
LZGRTXXNSWVFIP-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM353355
Similarity: 0.8188
Similarity to MM353355
| Tanimoto metric | 0.8188 |
|---|---|
| Cosine metric | 0.9049 |
| Dice metric | 0.9004 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71830
Similarity: 0.8071
Similarity to MM71830
| Tanimoto metric | 0.8071 |
|---|---|
| Cosine metric | 0.8984 |
| Dice metric | 0.8933 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293478
Similarity: 0.7793
Similarity to MM293478
| Tanimoto metric | 0.7793 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.876 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+495 more
