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PUBCHEM-ZINC04676937

 MMsINC code: MMs03153242
Type: Neutral
Formula: C24H25ClFNO2
SMILES:   Clc1cc(cc(OCC)c1OCc1ccc(F)cc1)CNc1ccc(cc1C)C
InChI:   InChI=1/C24H25ClFNO2/c1-4-28-23-13-19(14-27-22-10-5-16(2)11-17(22)3)12-21(25)24(23)29-15-18-6-8-20(26)9-7-18/h5-13,27H,4,14-15H2,1-3H3

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Potential Energy
Epot(MMFF94)=105.726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.92 g/mol  logS: -6.80877  SlogP: 7.21854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522515  Sterimol/B1: 2.42744  Sterimol/B2: 3.86948  Sterimol/B3: 4.6277
  Sterimol/B4: 9.53363  Sterimol/L: 21.547 
 
 Surface and Volume Properties
  Accessible surface: 728.377  Positive charged surface: 417.352  Negative charged surface: 311.025  Volume: 399.625
  Hydrophobic surface: 684.048  Hydrophilic surface: 44.329
 
 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.