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DocumentationIdentifier: MM149745
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM149745 |
| SMILES |
CCC(C=O)CC(C)F
|
| InChIKey |
OCWRRUAPMQIBNN-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
1.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM272061
Similarity: 0.8941
Similarity to MM272061
| Tanimoto metric | 0.8941 |
|---|---|
| Cosine metric | 0.9456 |
| Dice metric | 0.9441 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272062
Similarity: 0.8941
Similarity to MM272062
| Tanimoto metric | 0.8941 |
|---|---|
| Cosine metric | 0.9456 |
| Dice metric | 0.9441 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM326626
Similarity: 0.8085
Similarity to MM326626
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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