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DocumentationIdentifier: MM243173
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243173 |
| SMILES |
COCC(C)(C=O)N=CN
|
| InChIKey |
XJKIKTRCRCXRSI-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47716
Similarity: 0.7077
Similarity to MM47716
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8288 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47714
Similarity: 0.6327
Similarity to MM47714
| Tanimoto metric | 0.6327 |
|---|---|
| Cosine metric | 0.7777 |
| Dice metric | 0.775 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90706
Similarity: 0.5616
Similarity to MM90706
| Tanimoto metric | 0.5616 |
|---|---|
| Cosine metric | 0.7265 |
| Dice metric | 0.7193 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
