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DocumentationIdentifier: MM243172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243172 |
| SMILES |
C=CC(C)(COC)NC=O
|
| InChIKey |
GDGVQAVWEINIEM-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM312872
Similarity: 0.669
Similarity to MM312872
| Tanimoto metric | 0.669 |
|---|---|
| Cosine metric | 0.8039 |
| Dice metric | 0.8017 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312627
Similarity: 0.6667
Similarity to MM312627
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8015 |
| Dice metric | 0.8 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298575
Similarity: 0.6308
Similarity to MM298575
| Tanimoto metric | 0.6308 |
|---|---|
| Cosine metric | 0.7942 |
| Dice metric | 0.7736 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
