Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM251951
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251951 |
| SMILES |
CC(=N)NCC(F)=CC#N
|
| InChIKey |
OMUYDDCGBNKQPA-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145311
Similarity: 0.7913
Similarity to MM145311
| Tanimoto metric | 0.7913 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8835 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88912
Similarity: 0.7565
Similarity to MM88912
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8698 |
| Dice metric | 0.8614 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320719
Similarity: 0.6791
Similarity to MM320719
| Tanimoto metric | 0.6791 |
|---|---|
| Cosine metric | 0.8091 |
| Dice metric | 0.8089 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
