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DocumentationIdentifier: MM350462
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350462 |
| SMILES |
C=CCNC(=O)C(O)CN
|
| InChIKey |
BZPAQDCAKXKECC-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172953
Similarity: 0.8226
Similarity to MM172953
| Tanimoto metric | 0.8226 |
|---|---|
| Cosine metric | 0.907 |
| Dice metric | 0.9027 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47964
Similarity: 0.7903
Similarity to MM47964
| Tanimoto metric | 0.7903 |
|---|---|
| Cosine metric | 0.889 |
| Dice metric | 0.8829 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350173
Similarity: 0.7338
Similarity to MM350173
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8468 |
| Dice metric | 0.8465 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
