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DocumentationIdentifier: MM160376
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160376 |
| SMILES |
CNC(=N)C(N)C(C)N
|
| InChIKey |
VXZJQNILWNJBLT-UHFFFAOYSA-N
|
| MW [Da] |
130.2
Automatically obtained from RDkit software. |
| LogP |
-1.14
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 | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8559 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -1.53 |
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Total active interactions
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MM348883
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| Tanimoto metric | 0.7325 |
|---|---|
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| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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