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DocumentationIdentifier: MM328393
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328393 |
| SMILES |
C=C(CC)CC(CF)CF
|
| InChIKey |
JSYPKIQVLNTTGO-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
2.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141919
Similarity: 0.878
Similarity to MM141919
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262375
Similarity: 0.8276
Similarity to MM262375
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9057 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149875
Similarity: 0.8049
Similarity to MM149875
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8919 |
| MW: | 134.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+656 more
