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DocumentationIdentifier: MM304089
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304089 |
| SMILES |
COCC(=CCO)NC=O
|
| InChIKey |
KLKYQWODWQYDMV-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178543
Similarity: 0.8205
Similarity to MM178543
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385665
Similarity: 0.8031
Similarity to MM385665
| Tanimoto metric | 0.8031 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8908 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51777
Similarity: 0.7778
Similarity to MM51777
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+292 more
