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ASINEX-ZINC05018248

 MMsINC code: MMs00437242
Type: Neutral
Formula: C23H20F2N2O2
SMILES:   Fc1ccccc1N1N=C(CC1c1ccc(OC)cc1OC)c1ccc(F)cc1
InChI:   InChI=1/C23H20F2N2O2/c1-28-17-11-12-18(23(13-17)29-2)22-14-20(15-7-9-16(24)10-8-15)26-27(22)21-6-4-3-5-19(21)25/h3-13,22H,14H2,1-2H3/t22-/m1/s1

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Potential Energy
Epot(MMFF94)=132.019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.421 g/mol  logS: -5.87067  SlogP: 5.4332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.269665  Sterimol/B1: 2.10321  Sterimol/B2: 3.84509  Sterimol/B3: 8.24652
  Sterimol/B4: 8.59816  Sterimol/L: 15.8694 
 
 Surface and Volume Properties
  Accessible surface: 656.76  Positive charged surface: 415.135  Negative charged surface: 241.625  Volume: 369.625
  Hydrophobic surface: 632.88  Hydrophilic surface: 23.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.