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DocumentationIdentifier: MM340399
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340399 |
| SMILES |
CCC(CC)CCC(=O)O
|
| InChIKey |
KJYXVWHRKCNYKU-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
2.29
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 | 0.9565 |
|---|---|
| Cosine metric | 0.978 |
| Dice metric | 0.9778 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8684 |
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| Cosine metric | 0.9299 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.08 |
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Total active interactions
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MM254545
Similarity: 0.8148
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| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.8996 |
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| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
