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DocumentationIdentifier: MM385775
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385775 |
| SMILES |
C=CCC(=COC=O)CC
|
| InChIKey |
DXEHEPXGYWMQPU-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201636
Similarity: 0.747
Similarity to MM201636
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8552 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385641
Similarity: 0.6735
Similarity to MM385641
| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.8049 |
| Dice metric | 0.8049 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114731
Similarity: 0.6506
Similarity to MM114731
| Tanimoto metric | 0.6506 |
|---|---|
| Cosine metric | 0.8066 |
| Dice metric | 0.7883 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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