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DocumentationIdentifier: MM233902
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233902 |
| SMILES |
CNCCC(C)(C)NC=N
|
| InChIKey |
LKFBAGSUOKODKE-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.57
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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MM132380
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| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.8362 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM155883
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| Tanimoto metric | 0.7159 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8344 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
