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DocumentationIdentifier: MM144420
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144420 |
| SMILES |
NC(=O)CCC(O)C=O
|
| InChIKey |
AGJRWFLBRCBNCT-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
-1.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103398
Similarity: 0.7805
Similarity to MM103398
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144248
Similarity: 0.7158
Similarity to MM144248
| Tanimoto metric | 0.7158 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8344 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245194
Similarity: 0.6496
Similarity to MM245194
| Tanimoto metric | 0.6496 |
|---|---|
| Cosine metric | 0.7966 |
| Dice metric | 0.7876 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+483 more
