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DocumentationIdentifier: MM232776
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232776 |
| SMILES |
CC(C)(O)C=CCNC=N
|
| InChIKey |
ZCHXYQRZMCTCOV-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.51
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 | 0.8202 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.9012 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7978 |
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| Cosine metric | 0.8932 |
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| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
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| AI: | 0
Total active interactions
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MM363234
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| Tanimoto metric | 0.6762 |
|---|---|
| Cosine metric | 0.8069 |
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| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
