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DocumentationIdentifier: MM377536
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377536 |
| SMILES |
C=C(CC)C(CF)CC=O
|
| InChIKey |
MNUKIKVDTQGQRU-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.13
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 | 0.7913 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8835 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7103 |
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| Cosine metric | 0.8328 |
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| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM293238
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| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.831 |
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| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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