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DocumentationIdentifier: MM361578
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361578 |
| SMILES |
CC(=CF)C(C)=CCC=O
|
| InChIKey |
NAIVSFSYUGOLAC-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.4
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 | 0.781 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.877 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM268168
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| Tanimoto metric | 0.7025 |
|---|---|
| Cosine metric | 0.8254 |
| Dice metric | 0.8252 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM163903
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| Tanimoto metric | 0.6952 |
|---|---|
| Cosine metric | 0.8338 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+711 more
