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DocumentationIdentifier: MM98240
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM98240 |
| SMILES |
C=C(C=CF)OC
|
| InChIKey |
YDGYQHKBSMZXAJ-UHFFFAOYSA-N
|
| MW [Da] |
102.11
Automatically obtained from RDkit software. |
| LogP |
1.63
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 | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.02 |
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| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8637 |
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| MW: | 120.1 |
||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
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|
+253 more
