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DocumentationIdentifier: MM453108
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453108 |
| SMILES |
N#CC=COC=CCC#N
|
| InChIKey |
WYAKVAOJCSKXCY-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
1.47
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 | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM215361
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
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Total active interactions
|
+506 more
