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DocumentationIdentifier: MM393068
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393068 |
| SMILES |
C=CCCC(OC)C(C)=O
|
| InChIKey |
DNQDSRGYVQDDGY-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.56
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 | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7281 |
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| Cosine metric | 0.8533 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.9 |
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| AI: | 0
Total active interactions
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MM392883
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| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.8341 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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