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DocumentationIdentifier: MM316470
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM316470 |
| SMILES |
CC(CO)CNC(=N)CN
|
| InChIKey |
BHRJFNQMOIHYAH-UHFFFAOYSA-N
|
| MW [Da] |
145.21
Automatically obtained from RDkit software. |
| LogP |
-0.86
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 | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7653 |
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| Cosine metric | 0.8748 |
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| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
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| AI: | 0
Total active interactions
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MM144632
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| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8512 |
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| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
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+425 more
