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DocumentationIdentifier: MM162872
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162872 |
| SMILES |
CN=CNC(C)C(N)=O
|
| InChIKey |
HSGHSTWBVGCSAQ-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM247122
Similarity: 0.6479
Similarity to MM247122
| Tanimoto metric | 0.6479 |
|---|---|
| Cosine metric | 0.8049 |
| Dice metric | 0.7863 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105886
Similarity: 0.6196
Similarity to MM105886
| Tanimoto metric | 0.6196 |
|---|---|
| Cosine metric | 0.7871 |
| Dice metric | 0.7651 |
| MW: | 115.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160274
Similarity: 0.5887
Similarity to MM160274
| Tanimoto metric | 0.5887 |
|---|---|
| Cosine metric | 0.7427 |
| Dice metric | 0.7411 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+22 more
