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DocumentationIdentifier: MM347016
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM347016 |
| SMILES |
CCC(=COC(C)=O)CC
|
| InChIKey |
YARAPVXOCFMQCO-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
2.25
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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MM146658
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| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253596
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| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8659 |
| Dice metric | 0.8649 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM256068
Similarity: 0.7477
Similarity to MM256068
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8556 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+469 more
