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DocumentationIdentifier: MM26261
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26261 |
| SMILES |
C=CC(C)CC=O
|
| InChIKey |
MWSZRPZREJBOIP-UHFFFAOYSA-N
|
| MW [Da] |
98.15
Automatically obtained from RDkit software. |
| LogP |
1.4
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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MM37696
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| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.866 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
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MM116054
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|---|---|
| Cosine metric | 0.866 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+560 more
