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DocumentationIdentifier: MM187982
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM187982 |
| SMILES |
CC=CC(O)C(C#N)NC
|
| InChIKey |
LUUDENZMPDZDPX-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47919
Similarity: 0.6875
Similarity to MM47919
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8149 |
| Dice metric | 0.8148 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM183659
Similarity: 0.663
Similarity to MM183659
| Tanimoto metric | 0.663 |
|---|---|
| Cosine metric | 0.7975 |
| Dice metric | 0.7974 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44011
Similarity: 0.6276
Similarity to MM44011
| Tanimoto metric | 0.6276 |
|---|---|
| Cosine metric | 0.7723 |
| Dice metric | 0.7712 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
