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DocumentationIdentifier: MM300133
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300133 |
| SMILES |
C=CN(C=N)C(C)=C(C)C
|
| InChIKey |
ARMHDVMLCNOYNG-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.35
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 | 0.7823 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8778 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
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| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.84 |
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MM275880
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| Tanimoto metric | 0.705 |
|---|---|
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| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+221 more
