Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM245355
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245355 |
| SMILES |
CC(=O)C(C)CC(F)C#N
|
| InChIKey |
UALQJMYFOPWIBG-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM327024
Similarity: 0.7984
Similarity to MM327024
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8879 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133612
Similarity: 0.7236
Similarity to MM133612
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8506 |
| Dice metric | 0.8396 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141825
Similarity: 0.6748
Similarity to MM141825
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8058 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
