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PUBCHEM-ZINC05357866

 MMsINC code: MMs03247619
Type: Neutral
Formula: C18H17FN2O2
SMILES:   Fc1cc2c(onc2CC(=O)NC(C)(C)c2ccccc2)cc1
InChI:   InChI=1/C18H17FN2O2/c1-18(2,12-6-4-3-5-7-12)20-17(22)11-15-14-10-13(19)8-9-16(14)23-21-15/h3-10H,11H2,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=75.2241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.344 g/mol  logS: -4.95573  SlogP: 3.87237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0875471  Sterimol/B1: 1.969  Sterimol/B2: 3.83911  Sterimol/B3: 4.21961
  Sterimol/B4: 6.40557  Sterimol/L: 16.6175 
 
 Surface and Volume Properties
  Accessible surface: 553.645  Positive charged surface: 293.097  Negative charged surface: 256.545  Volume: 293.875
  Hydrophobic surface: 478.623  Hydrophilic surface: 75.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.