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DocumentationIdentifier: MM103017
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM103017 |
| SMILES |
CCC(C)(C)OC=O
|
| InChIKey |
SVZIJXUUTNJSEJ-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
1.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132640
Similarity: 0.7778
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| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.32 |
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MM97920
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| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
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| MW: | 102.13 |
||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+377 more
