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DocumentationIdentifier: MM306110
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306110 |
| SMILES |
C=CCC=CC(C)C(=N)N
|
| InChIKey |
WDCNKPVZDLGMGV-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.69
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 | 0.8791 |
|---|---|
| Cosine metric | 0.9376 |
| Dice metric | 0.9357 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8247 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.77 |
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MM395620
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| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8958 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+383 more
