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DocumentationIdentifier: MM141638
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM141638 |
| SMILES |
CCC(O)CC(C)C=O
|
| InChIKey |
ROQYFKRZVQBGEN-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
0.98
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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MM244764
Similarity: 0.8571
Similarity to MM244764
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7912 |
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| Cosine metric | 0.8895 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM104189
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| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
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| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+537 more
