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DocumentationIdentifier: MM331155
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM331155 |
| SMILES |
CCN(C=O)CC(F)=CF
|
| InChIKey |
OQLUMKJYBDGTKZ-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
1.25
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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MM143001
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| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7436 |
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| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
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Total active interactions
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MM272575
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Similarity to MM272575
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8209 |
| Dice metric | 0.8169 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+136 more
