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DocumentationIdentifier: MM364454
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364454 |
| SMILES |
CNCCCCC(=O)NC
|
| InChIKey |
NPXVXINCWGSABO-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.12
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 | 0.8611 |
|---|---|
| Cosine metric | 0.9255 |
| Dice metric | 0.9254 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM152629
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| Tanimoto metric | 0.8529 |
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| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 130.19 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -0.14 |
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Total active interactions
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MM287038
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| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8658 |
| Dice metric | 0.8657 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.25 |
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