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DocumentationIdentifier: MM354748
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM354748 |
| SMILES |
CC(=CF)C(=O)CCC=O
|
| InChIKey |
QZJIDHWURUHNOM-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174858
Similarity: 0.8407
Similarity to MM174858
| Tanimoto metric | 0.8407 |
|---|---|
| Cosine metric | 0.9169 |
| Dice metric | 0.9135 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354655
Similarity: 0.776
Similarity to MM354655
| Tanimoto metric | 0.776 |
|---|---|
| Cosine metric | 0.874 |
| Dice metric | 0.8739 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354746
Similarity: 0.7422
Similarity to MM354746
| Tanimoto metric | 0.7422 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.852 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+429 more
