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DocumentationIdentifier: MM113830
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113830 |
| SMILES |
CC=C(C)COCC
|
| InChIKey |
PJLKLKLXIUMUIU-UHFFFAOYSA-N
|
| MW [Da] |
114.19
Automatically obtained from RDkit software. |
| LogP |
1.99
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 | 0.8983 |
|---|---|
| Cosine metric | 0.9478 |
| Dice metric | 0.9464 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.16 |
||||
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| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
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| LogP: | 2.38 |
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