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DocumentationIdentifier: MM79589
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79589 |
| SMILES |
C#CC(=O)NC=C(C)CF
|
| InChIKey |
VVWBNHHQYFTTCS-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44330
Similarity: 0.7699
Similarity to MM44330
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49304
Similarity: 0.7522
Similarity to MM49304
| Tanimoto metric | 0.7522 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44302
Similarity: 0.7345
Similarity to MM44302
| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.8469 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+174 more
