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Documentation2-ethylpropanedial
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02960 |
| SMILES |
CCC(C=O)C=O
|
| InChIKey |
KJOIYGNLIYOKAT-UHFFFAOYSA-N
|
| MW [Da] |
100.12
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
19933060
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM24453
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| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 86.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.23 |
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|---|---|---|---|---|---|
| AI: | 0
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MM116972
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| Tanimoto metric | 0.7778 |
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| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.66 |
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|---|---|---|---|---|---|
| AI: | 0
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|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+154 more
