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DocumentationIdentifier: MM142042
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142042 |
| SMILES |
CC(CO)NC(=N)CN
|
| InChIKey |
DQAJDXOGYHERDB-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-1.11
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 | 0.8958 |
|---|---|
| Cosine metric | 0.9465 |
| Dice metric | 0.9451 |
| MW: | 147.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
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Total active interactions
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| Tanimoto metric | 0.7288 |
|---|---|
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
