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DocumentationIdentifier: MM160674
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160674 |
| SMILES |
C=CC(=C)C(C)C(=N)N
|
| InChIKey |
ZUCICCHIKLENRV-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.3
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 | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM389960
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| Tanimoto metric | 0.7986 |
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| Cosine metric | 0.8937 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.47 |
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MM389637
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| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
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| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+188 more
