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DocumentationIdentifier: MM231481
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231481 |
| SMILES |
O=C(NC=CF)C(F)(F)F
|
| InChIKey |
UPDUQMLNYYUQNM-UHFFFAOYSA-N
|
| MW [Da] |
157.07
Automatically obtained from RDkit software. |
| LogP |
1.11
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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MM132146
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 139.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM231480
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Similarity to MM231480
| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8374 |
| MW: | 153.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
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| AI: | 0
Total active interactions
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MM108425
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Similarity to MM108425
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.8225 |
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| MW: | 121.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+168 more
