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DocumentationIdentifier: MM326626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM326626 |
| SMILES |
CCC(F)CC(C=O)CC
|
| InChIKey |
LVASFCLTFBAJCP-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.35
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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MM149745
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| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM272061
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| Tanimoto metric | 0.8081 |
|---|---|
| Cosine metric | 0.895 |
| Dice metric | 0.8939 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM141658
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| Tanimoto metric | 0.766 |
|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+464 more
