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DocumentationIdentifier: MM159832
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159832 |
| SMILES |
CC=CC(F)=CC=CF
|
| InChIKey |
OKCRAXZVFREWDX-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
2.9
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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| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8065 |
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| Cosine metric | 0.898 |
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| MW: | 112.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.6 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM146769
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| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8852 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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