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DocumentationIdentifier: MM228244
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228244 |
| SMILES |
C#CC(C)(F)CNC(C)=N
|
| InChIKey |
WXLIKSPMLBVBMZ-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130420
Similarity: 0.696
Similarity to MM130420
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.8208 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318361
Similarity: 0.625
Similarity to MM318361
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.771 |
| Dice metric | 0.7692 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318595
Similarity: 0.6164
Similarity to MM318595
| Tanimoto metric | 0.6164 |
|---|---|
| Cosine metric | 0.7641 |
| Dice metric | 0.7627 |
| MW: | 138.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+138 more
