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CHEMBLOCK-ZINC04722692

 MMsINC code: MMs00573896
Type: Neutral
Formula: C15H11F2NO2
SMILES:   Fc1cc(ccc1C)C1(O)c2cc(F)ccc2NC1=O
InChI:   InChI=1/C15H11F2NO2/c1-8-2-3-9(6-12(8)17)15(20)11-7-10(16)4-5-13(11)18-14(15)19/h2-7,20H,1H3,(H,18,19)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=73.6028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.254 g/mol  logS: -4.02516  SlogP: 2.77272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142223  Sterimol/B1: 2.94455  Sterimol/B2: 3.15855  Sterimol/B3: 3.99975
  Sterimol/B4: 5.97026  Sterimol/L: 12.9205 
 
 Surface and Volume Properties
  Accessible surface: 458.406  Positive charged surface: 228.531  Negative charged surface: 229.875  Volume: 238.875
  Hydrophobic surface: 355.674  Hydrophilic surface: 102.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.