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DocumentationIdentifier: MM113153
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113153 |
| SMILES |
C=C(CN)CNC=N
|
| InChIKey |
GIORUMGNMOWXEN-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
-0.3
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 | 0.9016 |
|---|---|
| Cosine metric | 0.9495 |
| Dice metric | 0.9483 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.25 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7051 |
|---|---|
| Cosine metric | 0.8397 |
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| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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