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DocumentationIdentifier: MM388171
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388171 |
| SMILES |
CCC(O)CCC(C)(C)C
|
| InChIKey |
SURPSGVUTGGMOP-UHFFFAOYSA-N
|
| MW [Da] |
144.26
Automatically obtained from RDkit software. |
| LogP |
2.58
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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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.19 |
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|---|---|---|---|---|---|
| AI: | 0
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| Dice metric | 0.9091 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
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|---|---|---|---|---|---|
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Total active interactions
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MM415627
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| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.8951 |
| Dice metric | 0.8929 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+550 more
