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MAYBRIDGE-ZINC01042689

 MMsINC code: MMs02154764
Type: Neutral
Formula: C18H12Cl3NO3
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1COC(=O)c1ccc(Cl)cc1
InChI:   InChI=1/C18H12Cl3NO3/c1-10-13(9-24-18(23)11-5-7-12(19)8-6-11)17(22-25-10)16-14(20)3-2-4-15(16)21/h2-8H,9H2,1H3

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Potential Energy
Epot(MMFF94)=81.5348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.657 g/mol  logS: -7.0923  SlogP: 6.23362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182816  Sterimol/B1: 2.13469  Sterimol/B2: 4.49813  Sterimol/B3: 4.8899
  Sterimol/B4: 9.67973  Sterimol/L: 14.5947 
 
 Surface and Volume Properties
  Accessible surface: 603.636  Positive charged surface: 222.359  Negative charged surface: 381.277  Volume: 328.625
  Hydrophobic surface: 550.19  Hydrophilic surface: 53.446
 
 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.