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DocumentationIdentifier: MM221377
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221377 |
| SMILES |
C=CC=C(C)CC(F)(F)F
|
| InChIKey |
VNZLKGVTLDIUHJ-UHFFFAOYSA-N
|
| MW [Da] |
150.14
Automatically obtained from RDkit software. |
| LogP |
3.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM135987
Similarity: 0.8333
Similarity to MM135987
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130246
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Similarity to MM130246
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM222775
Similarity: 0.7188
Similarity to MM222775
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8365 |
| Dice metric | 0.8364 |
| MW: | 152.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+673 more
