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DocumentationIdentifier: MM180117
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180117 |
| SMILES |
C=CC(C=CF)C(C)C
|
| InChIKey |
MKTGEOVABLLAMQ-UHFFFAOYSA-N
|
| MW [Da] |
128.19
Automatically obtained from RDkit software. |
| LogP |
2.93
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 | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7941 |
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| Cosine metric | 0.8854 |
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| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108560
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| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
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| MW: | 116.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+636 more
