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DocumentationIdentifier: MM372756
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372756 |
| SMILES |
CCCC=COC(C)C#N
|
| InChIKey |
JUNUKRHDWQQODJ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
2.23
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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MM168292
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| Tanimoto metric | 0.8816 |
|---|---|
| Cosine metric | 0.9389 |
| Dice metric | 0.9371 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8171 |
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| Cosine metric | 0.8995 |
| Dice metric | 0.8993 |
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 1.34 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM407010
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| Tanimoto metric | 0.7976 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8874 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+761 more
