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DocumentationIdentifier: MM299311
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299311 |
| SMILES |
O=C(O)CC(F)CO
|
| InChIKey |
VICVHYSJHIYLHQ-UHFFFAOYSA-N
|
| MW [Da] |
122.1
Automatically obtained from RDkit software. |
| LogP |
-0.21
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 | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 106.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.82 |
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| AI: | 0
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MM142019
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| Tanimoto metric | 0.7143 |
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| Cosine metric | 0.8452 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.12 |
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| Dice metric | 0.8 |
| MW: | 120.08 |
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Total passive interactions
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| LogP: | |||||
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+299 more
