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OTAVA-ZINC00939268

 MMsINC code: MMs02556620
Type: Neutral
Formula: C19H13Cl3N2O4
SMILES:   ClC1=C(Nc2ccc(cc2)C(OCC)=O)C(=O)N(C1=O)c1cc(Cl)c(Cl)cc1
InChI:   InChI=1/C19H13Cl3N2O4/c1-2-28-19(27)10-3-5-11(6-4-10)23-16-15(22)17(25)24(18(16)26)12-7-8-13(20)14(21)9-12/h3-9,23H,2H2,1H3

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Potential Energy
Epot(MMFF94)=104.756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 439.682 g/mol  logS: -7.18765  SlogP: 4.7147  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0349659  Sterimol/B1: 3.34034  Sterimol/B2: 3.49956  Sterimol/B3: 5.06176
  Sterimol/B4: 7.28045  Sterimol/L: 19.5783 
 
 Surface and Volume Properties
  Accessible surface: 664.677  Positive charged surface: 282.524  Negative charged surface: 382.154  Volume: 356.75
  Hydrophobic surface: 528.84  Hydrophilic surface: 135.837
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.