Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM304972
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304972 |
| SMILES |
C=C(F)C(=O)NC=CC#N
|
| InChIKey |
LHJCGGBTWMXWSY-UHFFFAOYSA-N
|
| MW [Da] |
140.12
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163023
Similarity: 0.843
Similarity to MM163023
| Tanimoto metric | 0.843 |
|---|---|
| Cosine metric | 0.9181 |
| Dice metric | 0.9148 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304970
Similarity: 0.7556
Similarity to MM304970
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8608 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56317
Similarity: 0.7556
Similarity to MM56317
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8608 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
