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APOLLO-ZINC02545248

 MMsINC code: MMs00053113
Type: Neutral
Formula: C9H10F2O
SMILES:   Fc1cc(OC(C)C)ccc1F
InChI:   InChI=1/C9H10F2O/c1-6(2)12-7-3-4-8(10)9(11)5-7/h3-6H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.2221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.174 g/mol  logS: -2.67964  SlogP: 2.752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0918685  Sterimol/B1: 2.3326  Sterimol/B2: 3.11239  Sterimol/B3: 3.92705
  Sterimol/B4: 4.53978  Sterimol/L: 11.2207 
 
 Surface and Volume Properties
  Accessible surface: 357.999  Positive charged surface: 195.414  Negative charged surface: 162.585  Volume: 159.125
  Hydrophobic surface: 311.932  Hydrophilic surface: 46.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.