Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM139708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139708 |
| SMILES |
CNC(C)(C#N)C=CF
|
| InChIKey |
NPYZNISQDAOVCG-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM26289
Similarity: 0.8512
Similarity to MM26289
| Tanimoto metric | 0.8512 |
|---|---|
| Cosine metric | 0.9226 |
| Dice metric | 0.9196 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43996
Similarity: 0.699
Similarity to MM43996
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8229 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42347
Similarity: 0.6796
Similarity to MM42347
| Tanimoto metric | 0.6796 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8092 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
