Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM41563
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41563 |
| SMILES |
CC(O)(C#N)C(F)C#N
|
| InChIKey |
ZFKCTXZRXCMPBU-UHFFFAOYSA-N
|
| MW [Da] |
128.11
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103284
Similarity: 0.7311
Similarity to MM103284
| Tanimoto metric | 0.7311 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8447 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319989
Similarity: 0.7
Similarity to MM319989
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76755
Similarity: 0.6467
Similarity to MM76755
| Tanimoto metric | 0.6467 |
|---|---|
| Cosine metric | 0.8042 |
| Dice metric | 0.7855 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
