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DocumentationIdentifier: MM327829
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM327829 |
| SMILES |
C=CN(C=O)CC(O)CO
|
| InChIKey |
PKCADCKZLPPQEW-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141720
Similarity: 0.688
Similarity to MM141720
| Tanimoto metric | 0.688 |
|---|---|
| Cosine metric | 0.8295 |
| Dice metric | 0.8152 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327828
Similarity: 0.6667
Similarity to MM327828
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8002 |
| Dice metric | 0.8 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79823
Similarity: 0.6556
Similarity to MM79823
| Tanimoto metric | 0.6556 |
|---|---|
| Cosine metric | 0.792 |
| Dice metric | 0.792 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
