Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM132043
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132043 |
| SMILES |
CC(CC=O)C(F)(F)F
|
| InChIKey |
XPSIVWGPYKWZDL-UHFFFAOYSA-N
|
| MW [Da] |
140.1
Automatically obtained from RDkit software. |
| LogP |
1.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108102
Similarity: 0.7846
Similarity to MM108102
| Tanimoto metric | 0.7846 |
|---|---|
| Cosine metric | 0.8858 |
| Dice metric | 0.8793 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222396
Similarity: 0.7831
Similarity to MM222396
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 154.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
4,4,4-trifluorobutanal
Similarity: 0.6769
Similarity to 4,4,4-trifluorobutanal
| Tanimoto metric | 0.6769 |
|---|---|
| Cosine metric | 0.8228 |
| Dice metric | 0.8073 |
| MW: | 126.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
