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DocumentationIdentifier: MM106290
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM106290 |
| SMILES |
C=C(F)C=CCCC
|
| InChIKey |
QUULBEMXKUOAMG-UHFFFAOYSA-N
|
| MW [Da] |
114.16
Automatically obtained from RDkit software. |
| LogP |
2.83
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 | 0.9123 |
|---|---|
| Cosine metric | 0.9551 |
| Dice metric | 0.9541 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154119
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| Tanimoto metric | 0.8525 |
|---|---|
| Cosine metric | 0.9233 |
| Dice metric | 0.9204 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM154117
Similarity: 0.7879
Similarity to MM154117
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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