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DocumentationIdentifier: MM35424
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35424 |
| SMILES |
CC(C#N)C(C)C#N
|
| InChIKey |
UJEJQKVERRRQQD-UHFFFAOYSA-N
|
| MW [Da] |
108.14
Automatically obtained from RDkit software. |
| LogP |
1.31
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 | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 94.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9075 |
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| MW: | 97.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
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| MW: | 119.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
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|
+253 more
