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DocumentationIdentifier: MM231505
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231505 |
| SMILES |
CC=COC(=O)C(F)(F)F
|
| InChIKey |
JYRYKXJTTDXECY-UHFFFAOYSA-N
|
| MW [Da] |
154.09
Automatically obtained from RDkit software. |
| LogP |
1.63
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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MM162965
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| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.914 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.912 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108436
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| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8205 |
| Dice metric | 0.8047 |
| MW: | 122.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+223 more
