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DocumentationIdentifier: MM292726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292726 |
| SMILES |
CC(NC=O)C(O)CC=O
|
| InChIKey |
NYXQKZWOUMNQAC-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171967
Similarity: 0.7823
Similarity to MM171967
| Tanimoto metric | 0.7823 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8778 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292727
Similarity: 0.6424
Similarity to MM292727
| Tanimoto metric | 0.6424 |
|---|---|
| Cosine metric | 0.7823 |
| Dice metric | 0.7823 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268511
Similarity: 0.6061
Similarity to MM268511
| Tanimoto metric | 0.6061 |
|---|---|
| Cosine metric | 0.7563 |
| Dice metric | 0.7547 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
