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DocumentationIdentifier: MM245655
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245655 |
| SMILES |
CNC(=O)CC(O)C(N)=O
|
| InChIKey |
AFNFTEAHFDHSIZ-UHFFFAOYSA-N
|
| MW [Da] |
146.15
Automatically obtained from RDkit software. |
| LogP |
-2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM268853
Similarity: 0.8714
Similarity to MM268853
| Tanimoto metric | 0.8714 |
|---|---|
| Cosine metric | 0.9314 |
| Dice metric | 0.9313 |
| MW: | 146.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261900
Similarity: 0.7574
Similarity to MM261900
| Tanimoto metric | 0.7574 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8619 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141989
Similarity: 0.7519
Similarity to MM141989
| Tanimoto metric | 0.7519 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8584 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
