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DocumentationIdentifier: MM111585
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111585 |
| SMILES |
C=CC(F)C(C)OC
|
| InChIKey |
RZKSZYDJEHRIBP-UHFFFAOYSA-N
|
| MW [Da] |
118.15
Automatically obtained from RDkit software. |
| LogP |
1.55
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 | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7642 |
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| Cosine metric | 0.8742 |
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| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM197002
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Similarity to MM197002
| Tanimoto metric | 0.6639 |
|---|---|
| Cosine metric | 0.8148 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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