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DocumentationIdentifier: MM51936
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51936 |
| SMILES |
C=C(F)CN(C)CC=O
|
| InChIKey |
FWGLGVXCCPLSCZ-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP |
0.6
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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MM368223
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| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8646 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8387 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.99 |
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Total active interactions
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| Tanimoto metric | 0.6867 |
|---|---|
| Cosine metric | 0.8287 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+86 more
