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DocumentationIdentifier: MM202016
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM202016 |
| SMILES |
CCC(C=O)=CC=CF
|
| InChIKey |
VYDACEGRVBABDU-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
2
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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MM387002
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Similarity to MM387002
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.9119 |
| Dice metric | 0.908 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7524 |
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| Cosine metric | 0.8674 |
| Dice metric | 0.8587 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM163996
Similarity: 0.75
Similarity to MM163996
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8571 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+672 more
