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DocumentationIdentifier: MM132118
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132118 |
| SMILES |
C=C(CC=O)C(C)(C)C
|
| InChIKey |
FYARYKBOEHOFSN-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.18
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 | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6947 |
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| Cosine metric | 0.8335 |
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| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.57 |
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| AI: | 0
Total active interactions
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MM137880
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| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8156 |
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| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+504 more
