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DocumentationIdentifier: MM348537
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348537 |
| SMILES |
C=COCC(O)C(C)C=O
|
| InChIKey |
BZMKMVDPBCAETF-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.34
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 | 0.7373 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8488 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8523 |
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| MW: | 130.14 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.1 |
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Total active interactions
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| MW: | 130.19 |
||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+428 more
