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DocumentationIdentifier: MM104631
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104631 |
| SMILES |
C=C(C)CC(=C)C#N
|
| InChIKey |
UYSBPTPFKXYYIK-UHFFFAOYSA-N
|
| MW [Da] |
107.16
Automatically obtained from RDkit software. |
| LogP |
2.03
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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MM142819
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| Tanimoto metric | 0.931 |
|---|---|
| Cosine metric | 0.9649 |
| Dice metric | 0.9643 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.42 |
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Total active interactions
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MM113353
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| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8642 |
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| MW: | 106.13 |
||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+420 more
