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DocumentationIdentifier: MM300511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300511 |
| SMILES |
CC(C(N)=O)=C(CO)CO
|
| InChIKey |
WXVTYVAWKFXHBD-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM257828
Similarity: 0.9052
Similarity to MM257828
| Tanimoto metric | 0.9052 |
|---|---|
| Cosine metric | 0.9514 |
| Dice metric | 0.9502 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM181216
Similarity: 0.6842
Similarity to MM181216
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.813 |
| Dice metric | 0.8125 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255939
Similarity: 0.6818
Similarity to MM255939
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8153 |
| Dice metric | 0.8108 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+317 more
