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DocumentationIdentifier: MM386240
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386240 |
| SMILES |
C=CCC(CN)CNCC
|
| InChIKey |
FTDOWPBICPITNW-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.75
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 | 0.8101 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.8951 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.81 |
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| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8732 |
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| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.62 |
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+525 more
