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DocumentationIdentifier: MM312627
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312627 |
| SMILES |
C=CC(CO)(CO)NC=O
|
| InChIKey |
BTJAGQHZOYKKTA-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM312872
Similarity: 0.7462
Similarity to MM312872
| Tanimoto metric | 0.7462 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8546 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243172
Similarity: 0.6667
Similarity to MM243172
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8015 |
| Dice metric | 0.8 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243348
Similarity: 0.6599
Similarity to MM243348
| Tanimoto metric | 0.6599 |
|---|---|
| Cosine metric | 0.7964 |
| Dice metric | 0.7951 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
