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DocumentationIdentifier: MM131810
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131810 |
| SMILES |
CCOC=CC(C)(F)F
|
| InChIKey |
YRJOTESZANQYLQ-UHFFFAOYSA-N
|
| MW [Da] |
136.14
Automatically obtained from RDkit software. |
| LogP |
2.19
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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MM232784
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| Tanimoto metric | 0.8721 |
|---|---|
| Cosine metric | 0.9339 |
| Dice metric | 0.9317 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8621 |
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| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
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|---|---|---|---|---|---|
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MM232807
Similarity: 0.8333
Similarity to MM232807
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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