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DocumentationIdentifier: MM226482
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226482 |
| SMILES |
C=CC(C)(O)CN(C)C=O
|
| InChIKey |
DFOVXSRNIQZKNV-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138422
Similarity: 0.752
Similarity to MM138422
| Tanimoto metric | 0.752 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8584 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141849
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Similarity to MM141849
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM309409
Similarity: 0.6763
Similarity to MM309409
| Tanimoto metric | 0.6763 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.8069 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
