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DocumentationIdentifier: MM156083
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156083 |
| SMILES |
C=C(CCF)CCCF
|
| InChIKey |
KVGLSTZCVFYBFG-UHFFFAOYSA-N
|
| MW [Da] |
134.17
Automatically obtained from RDkit software. |
| LogP |
2.65
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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MM107300
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| Tanimoto metric | 0.8868 |
|---|---|
| Cosine metric | 0.9417 |
| Dice metric | 0.94 |
| MW: | 116.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM112990
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| Tanimoto metric | 0.8679 |
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| Cosine metric | 0.9316 |
| Dice metric | 0.9293 |
| MW: | 116.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM156078
Similarity: 0.8214
Similarity to MM156078
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.902 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+787 more
