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DocumentationIdentifier: MM132306
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132306 |
| SMILES |
CC(=CC=O)C(F)(F)F
|
| InChIKey |
TYPUHMRUAGTZDD-UHFFFAOYSA-N
|
| MW [Da] |
138.09
Automatically obtained from RDkit software. |
| LogP |
1.69
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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MM108827
Similarity: 0.8108
Similarity to MM108827
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM224073
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| Tanimoto metric | 0.7551 |
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| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM102698
Similarity: 0.7432
Similarity to MM102698
| Tanimoto metric | 0.7432 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8527 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+174 more
