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PUBCHEM-ZINC03700201

 MMsINC code: MMs03048225
Type: Neutral
Formula: C16H15ClFNO2
SMILES:   Clc1cc(F)c2NC(Cc2c1)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C16H15ClFNO2/c1-20-14-4-3-9(7-15(14)21-2)13-6-10-5-11(17)8-12(18)16(10)19-13/h3-5,7-8,13,19H,6H2,1-2H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=142.463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.752 g/mol  logS: -4.26314  SlogP: 4.30107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112968  Sterimol/B1: 2.07076  Sterimol/B2: 3.98371  Sterimol/B3: 4.20817
  Sterimol/B4: 7.63974  Sterimol/L: 14.3189 
 
 Surface and Volume Properties
  Accessible surface: 530.283  Positive charged surface: 329.939  Negative charged surface: 200.344  Volume: 276.125
  Hydrophobic surface: 483.705  Hydrophilic surface: 46.578
 
 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.