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DocumentationIdentifier: MM40516
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40516 |
| SMILES |
C=CCC(C)(F)C(C)=O
|
| InChIKey |
CNHVWGRJJKXFIZ-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
1.88
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 | 0.7956 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM244066
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| Tanimoto metric | 0.7842 |
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| Cosine metric | 0.8855 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
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|---|---|---|---|---|---|
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MM139406
Similarity: 0.7391
Similarity to MM139406
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8535 |
| Dice metric | 0.85 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+256 more
