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DocumentationIdentifier: MM223222
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223222 |
| SMILES |
C=C(CC(C)=O)CC(F)F
|
| InChIKey |
ZIASPHWWEHQBCL-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
2.18
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 | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM41096
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| Cosine metric | 0.8587 |
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 1.79 |
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|---|---|---|---|---|---|
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Total active interactions
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MM263024
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| Tanimoto metric | 0.7043 |
|---|---|
| Cosine metric | 0.8266 |
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| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+488 more
