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MAYBRIDGE-ZINC01048968

 MMsINC code: MMs02157761
Type: Neutral
Formula: C17H12Cl2FNO2
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(O)c1ccc(F)cc1
InChI:   InChI=1/C17H12Cl2FNO2/c1-9-14(17(22)10-5-7-11(20)8-6-10)16(21-23-9)15-12(18)3-2-4-13(15)19/h2-8,17,22H,1H3/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=92.3282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.192 g/mol  logS: -6.04228  SlogP: 5.27312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17834  Sterimol/B1: 2.26552  Sterimol/B2: 4.3429  Sterimol/B3: 4.73905
  Sterimol/B4: 7.84158  Sterimol/L: 13.1119 
 
 Surface and Volume Properties
  Accessible surface: 509.329  Positive charged surface: 189.667  Negative charged surface: 319.662  Volume: 293.25
  Hydrophobic surface: 464.954  Hydrophilic surface: 44.375
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.