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PUBCHEM-ZINC05925913

 MMsINC code: MMs03446588
Type: Neutral
Formula: C20H21FN2O2
SMILES:   Fc1ccccc1C(NC(=O)C(CC)c1noc2c1cccc2)(C)C
InChI:   InChI=1/C20H21FN2O2/c1-4-13(18-14-9-5-8-12-17(14)25-23-18)19(24)22-20(2,3)15-10-6-7-11-16(15)21/h5-13H,4H2,1-3H3,(H,22,24)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=80.158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.398 g/mol  logS: -5.67272  SlogP: 4.8235  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104726  Sterimol/B1: 2.50106  Sterimol/B2: 4.03004  Sterimol/B3: 4.2024
  Sterimol/B4: 7.40896  Sterimol/L: 17.1306 
 
 Surface and Volume Properties
  Accessible surface: 586.732  Positive charged surface: 324.994  Negative charged surface: 258.75  Volume: 329.5
  Hydrophobic surface: 497.903  Hydrophilic surface: 88.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.