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DocumentationIdentifier: MM61828
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61828 |
| SMILES |
CC(=O)C(C)N=CN
|
| InChIKey |
XGWUPKZRXQJGJT-UHFFFAOYSA-N
|
| MW [Da] |
114.15
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60167
Similarity: 0.7872
Similarity to MM60167
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.881 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53787
Similarity: 0.7184
Similarity to MM53787
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8362 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52429
Similarity: 0.6916
Similarity to MM52429
| Tanimoto metric | 0.6916 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8177 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+87 more
