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DocumentationIdentifier: MM389666
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389666 |
| SMILES |
CC=C(CNC)COCC
|
| InChIKey |
CRCLMLZVNSHQAU-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.19
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 | 0.8318 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9082 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.8 |
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| AI: | 0
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| PI: | 2
Total passive interactions
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| LogP: | 0.93 |
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|---|---|
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.8 |
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|---|---|---|---|---|---|
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|
+589 more
