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DocumentationIdentifier: MM235345
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235345 |
| SMILES |
C=C(C)C(C)(C)NC=NC
|
| InChIKey |
AHNLYYQDAVSZSQ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.59
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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MM132750
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| Tanimoto metric | 0.8417 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.914 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8612 |
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| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.2 |
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Total active interactions
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| Tanimoto metric | 0.6516 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7891 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+174 more
