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DocumentationIdentifier: MM261969
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261969 |
| SMILES |
CNCC(C)OC(=O)CO
|
| InChIKey |
IVIRELSPYTTXKN-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-0.87
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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MM135242
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| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.712 |
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| Cosine metric | 0.8341 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM166545
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| Tanimoto metric | 0.6609 |
|---|---|
| Cosine metric | 0.8129 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
