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PUBCHEM-ZINC02093961

 MMsINC code: MMs02872173
Type: Neutral
Formula: C23H23ClFNO2
SMILES:   Clc1cc(cc(OC)c1OCc1cc(F)ccc1)CNc1cc(ccc1C)C
InChI:   InChI=1/C23H23ClFNO2/c1-15-7-8-16(2)21(9-15)26-13-18-11-20(24)23(22(12-18)27-3)28-14-17-5-4-6-19(25)10-17/h4-12,26H,13-14H2,1-3H3

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Potential Energy
Epot(MMFF94)=107.767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.893 g/mol  logS: -6.48156  SlogP: 6.82844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0721894  Sterimol/B1: 2.15364  Sterimol/B2: 5.15445  Sterimol/B3: 5.46004
  Sterimol/B4: 7.14933  Sterimol/L: 20.4401 
 
 Surface and Volume Properties
  Accessible surface: 701.287  Positive charged surface: 408.689  Negative charged surface: 292.599  Volume: 383.125
  Hydrophobic surface: 676.985  Hydrophilic surface: 24.302
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.