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DocumentationIdentifier: MM389449
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389449 |
| SMILES |
C=C(C)C(CF)C(=O)CC
|
| InChIKey |
KVICCCKTMZQYDM-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM181072
Similarity: 0.7632
Similarity to MM181072
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389451
Similarity: 0.6854
Similarity to MM389451
| Tanimoto metric | 0.6854 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.8133 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297456
Similarity: 0.6765
Similarity to MM297456
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.807 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
