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DocumentationIdentifier: MM350683
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350683 |
| SMILES |
CCC(CC=O)NCC#N
|
| InChIKey |
JYHZPFRKANSPQX-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.47
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 | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9103 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8448 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.35 |
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| AI: | 0
Total active interactions
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MM386317
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| Tanimoto metric | 0.7204 |
|---|---|
| Cosine metric | 0.8391 |
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| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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