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DocumentationIdentifier: MM415609
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM415609 |
| SMILES |
CC(OC=O)C(C#N)=CF
|
| InChIKey |
KFNYVSGOCAPTSI-UHFFFAOYSA-N
|
| MW [Da] |
143.12
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172791
Similarity: 0.72
Similarity to MM172791
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378708
Similarity: 0.5956
Similarity to MM378708
| Tanimoto metric | 0.5956 |
|---|---|
| Cosine metric | 0.7469 |
| Dice metric | 0.7466 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269872
Similarity: 0.582
Similarity to MM269872
| Tanimoto metric | 0.582 |
|---|---|
| Cosine metric | 0.7358 |
| Dice metric | 0.7358 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+34 more
