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DocumentationIdentifier: MM429798
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM429798 |
| SMILES |
C#CC(NC)C(F)C#N
|
| InChIKey |
UNOOKGRPEMLNLG-UHFFFAOYSA-N
|
| MW [Da] |
126.13
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM59878
Similarity: 0.7974
Similarity to MM59878
| Tanimoto metric | 0.7974 |
|---|---|
| Cosine metric | 0.893 |
| Dice metric | 0.8873 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160040
Similarity: 0.5586
Similarity to MM160040
| Tanimoto metric | 0.5586 |
|---|---|
| Cosine metric | 0.7191 |
| Dice metric | 0.7168 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28827
Similarity: 0.5369
Similarity to MM28827
| Tanimoto metric | 0.5369 |
|---|---|
| Cosine metric | 0.7002 |
| Dice metric | 0.6987 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+147 more
