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DocumentationIdentifier: MM64043
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64043 |
| SMILES |
CC(C)C=CNC(=O)CO
|
| InChIKey |
FGEUEMSEYMYGIO-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM49048
Similarity: 0.8723
Similarity to MM49048
| Tanimoto metric | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92327
Similarity: 0.7885
Similarity to MM92327
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.8818 |
| Dice metric | 0.8817 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92259
Similarity: 0.781
Similarity to MM92259
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.877 |
| Dice metric | 0.877 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+660 more
