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DocumentationIdentifier: MM162493
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162493 |
| SMILES |
CC(O)C(=O)CNC=O
|
| InChIKey |
PNEPXFSMAZUPMG-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
-1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM350401
Similarity: 0.7559
Similarity to MM350401
| Tanimoto metric | 0.7559 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.861 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246137
Similarity: 0.7442
Similarity to MM246137
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM351127
Similarity: 0.7328
Similarity to MM351127
| Tanimoto metric | 0.7328 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8458 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
