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PUBCHEM-ZINC03699701

 MMsINC code: MMs03048024
Type: Neutral
Formula: C15H13ClFNO
SMILES:   Clc1cc(ccc1OC)C1Nc2c(C1)cccc2F
InChI:   InChI=1/C15H13ClFNO/c1-19-14-6-5-9(7-11(14)16)13-8-10-3-2-4-12(17)15(10)18-13/h2-7,13,18H,8H2,1H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=130.963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.726 g/mol  logS: -4.21276  SlogP: 4.29247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109928  Sterimol/B1: 3.72808  Sterimol/B2: 4.2775  Sterimol/B3: 4.28361
  Sterimol/B4: 5.00071  Sterimol/L: 13.7141 
 
 Surface and Volume Properties
  Accessible surface: 485.705  Positive charged surface: 275.09  Negative charged surface: 210.615  Volume: 249.875
  Hydrophobic surface: 450.824  Hydrophilic surface: 34.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.