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DocumentationIdentifier: MM104260
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104260 |
| SMILES |
CCC(C)CC(=O)O
|
| InChIKey |
IGIDLTISMCAULB-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
1.51
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 | 0.918 |
|---|---|
| Cosine metric | 0.9581 |
| Dice metric | 0.9573 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9211 |
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| MW: | 130.14 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.69 |
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| AI: | 0
Total active interactions
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MM133532
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| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8881 |
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| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+490 more
