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DocumentationIdentifier: MM136075
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM136075 |
| SMILES |
CCC=C(C)OC(C)=O
|
| InChIKey |
DXJINJKWFDGAAX-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.86
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 | 0.8482 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9169 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
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Total active interactions
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MM237955
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Similarity to MM237955
| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9005 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+532 more
