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DocumentationIdentifier: MM89205
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89205 |
| SMILES |
C#CC(F)(C=O)CNC=N
|
| InChIKey |
DAFAPGVCXIYKFT-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM309426
Similarity: 0.6275
Similarity to MM309426
| Tanimoto metric | 0.6275 |
|---|---|
| Cosine metric | 0.7779 |
| Dice metric | 0.7711 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240119
Similarity: 0.5949
Similarity to MM240119
| Tanimoto metric | 0.5949 |
|---|---|
| Cosine metric | 0.7514 |
| Dice metric | 0.746 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226612
Similarity: 0.5765
Similarity to MM226612
| Tanimoto metric | 0.5765 |
|---|---|
| Cosine metric | 0.7323 |
| Dice metric | 0.7313 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+36 more
