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DocumentationIdentifier: MM264519
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264519 |
| SMILES |
CNC(=O)C=CC(C)(F)F
|
| InChIKey |
CGYIDQWJJAJMSG-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM283888
Similarity: 0.7218
Similarity to MM283888
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8384 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145700
Similarity: 0.6897
Similarity to MM145700
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8163 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294704
Similarity: 0.6835
Similarity to MM294704
| Tanimoto metric | 0.6835 |
|---|---|
| Cosine metric | 0.812 |
| Dice metric | 0.812 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
