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DocumentationIdentifier: MM353830
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353830 |
| SMILES |
C#CC(C)C(=N)NC=CF
|
| InChIKey |
WWFIBGRVWHJMDG-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173555
Similarity: 0.8151
Similarity to MM173555
| Tanimoto metric | 0.8151 |
|---|---|
| Cosine metric | 0.9028 |
| Dice metric | 0.8981 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61192
Similarity: 0.7462
Similarity to MM61192
| Tanimoto metric | 0.7462 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8546 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58572
Similarity: 0.7395
Similarity to MM58572
| Tanimoto metric | 0.7395 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8502 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+454 more
