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DocumentationIdentifier: MM403236
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403236 |
| SMILES |
CCC(C=O)CCCC=O
|
| InChIKey |
GXXVAMCEAMPWGZ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.58
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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MM198783
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| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.65 |
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|---|---|---|---|---|---|
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Total active interactions
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MM402780
Similarity: 0.8644
Similarity to MM402780
| Tanimoto metric | 0.8644 |
|---|---|
| Cosine metric | 0.9273 |
| Dice metric | 0.9273 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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