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DocumentationIdentifier: MM245390
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245390 |
| SMILES |
C=CC(O)CC(O)C(N)=O
|
| InChIKey |
RBRSZEDTAQKNCG-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47880
Similarity: 0.7259
Similarity to MM47880
| Tanimoto metric | 0.7259 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8412 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245194
Similarity: 0.7083
Similarity to MM245194
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8332 |
| Dice metric | 0.8293 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245391
Similarity: 0.6265
Similarity to MM245391
| Tanimoto metric | 0.6265 |
|---|---|
| Cosine metric | 0.7704 |
| Dice metric | 0.7704 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+183 more
