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DocumentationIdentifier: MM142591
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142591 |
| SMILES |
C=C(CN)NC(=O)CF
|
| InChIKey |
YVDQOMLDTKYMKQ-UHFFFAOYSA-N
|
| MW [Da] |
132.14
Automatically obtained from RDkit software. |
| LogP |
-0.46
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 | 0.7482 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.856 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
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| AI: | 0
Total active interactions
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
