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DocumentationIdentifier: MM236781
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236781 |
| SMILES |
C=CCCC(=O)CC(C)F
|
| InChIKey |
OTWMEXGBAZPJTP-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.27
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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MM156222
Similarity: 0.764
Similarity to MM156222
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8662 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM142228
Similarity: 0.7451
Similarity to MM142228
| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8539 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM135412
Similarity: 0.72
Similarity to MM135412
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8372 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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