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MAYBRIDGE-ZINC01048913

 MMsINC code: MMs02157722
Type: Neutral
Formula: C18H11Cl2F2NO3
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(OCc1c(F)cccc1Cl)=O
InChI:   InChI=1/C18H11Cl2F2NO3/c1-9-15(17(23-26-9)16-12(20)5-3-7-14(16)22)18(24)25-8-10-11(19)4-2-6-13(10)21/h2-7H,8H2,1H3

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Potential Energy
Epot(MMFF94)=69.6986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.192 g/mol  logS: -6.94797  SlogP: 5.85842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150978  Sterimol/B1: 2.36789  Sterimol/B2: 4.12378  Sterimol/B3: 4.72554
  Sterimol/B4: 9.93858  Sterimol/L: 12.7923 
 
 Surface and Volume Properties
  Accessible surface: 580.839  Positive charged surface: 238.038  Negative charged surface: 342.801  Volume: 319.25
  Hydrophobic surface: 532.932  Hydrophilic surface: 47.907
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.