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CHEMDIV-ZINC00256978

 MMsINC code: MMs00846806
Type: Neutral
Formula: C17H10ClF2NO3
SMILES:   Clc1ccccc1-c1noc(C)c1C(Oc1cccc(F)c1F)=O
InChI:   InChI=1/C17H10ClF2NO3/c1-9-14(16(21-24-9)10-5-2-3-6-11(10)18)17(22)23-13-8-4-7-12(19)15(13)20/h2-8H,1H3

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Potential Energy
Epot(MMFF94)=90.8226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.72 g/mol  logS: -6.17811  SlogP: 4.80082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0806504  Sterimol/B1: 2.39647  Sterimol/B2: 3.02838  Sterimol/B3: 4.35326
  Sterimol/B4: 9.43438  Sterimol/L: 13.2174 
 
 Surface and Volume Properties
  Accessible surface: 533.905  Positive charged surface: 225.156  Negative charged surface: 308.749  Volume: 287.875
  Hydrophobic surface: 486.295  Hydrophilic surface: 47.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.