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DocumentationIdentifier: MM88890
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88890 |
| SMILES |
C#CC(C)C(CF)NC=N
|
| InChIKey |
QCEAIIHOVIAOQR-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177915
Similarity: 0.6953
Similarity to MM177915
| Tanimoto metric | 0.6953 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8203 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243103
Similarity: 0.6139
Similarity to MM243103
| Tanimoto metric | 0.6139 |
|---|---|
| Cosine metric | 0.7608 |
| Dice metric | 0.7608 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242111
Similarity: 0.5933
Similarity to MM242111
| Tanimoto metric | 0.5933 |
|---|---|
| Cosine metric | 0.7467 |
| Dice metric | 0.7448 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+100 more
