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DocumentationIdentifier: MM164109
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM164109 |
| SMILES |
C=COCC(C)=C(F)F
|
| InChIKey |
CHCHJZRMLBRRKF-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
2.32
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 | 0.7821 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8777 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7821 |
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| Cosine metric | 0.8843 |
| Dice metric | 0.8777 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM164068
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| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8289 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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