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PUBCHEM-ZINC02115304

 MMsINC code: MMs02873422
Type: Neutral
Formula: C12H10Cl2F3NO4
SMILES:   Clc1cc(NC(=O)C(Cl)C(O)(C(OC)=O)C(F)(F)F)ccc1
InChI:   InChI=1/C12H10Cl2F3NO4/c1-22-10(20)11(21,12(15,16)17)8(14)9(19)18-7-4-2-3-6(13)5-7/h2-5,8,21H,1H3,(H,18,19)/t8-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=72.5661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.115 g/mol  logS: -4.37516  SlogP: 3.1921  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0647156  Sterimol/B1: 3.73717  Sterimol/B2: 3.77318  Sterimol/B3: 4.25408
  Sterimol/B4: 4.42005  Sterimol/L: 15.964 
 
 Surface and Volume Properties
  Accessible surface: 522.154  Positive charged surface: 213.932  Negative charged surface: 308.222  Volume: 264.5
  Hydrophobic surface: 312.594  Hydrophilic surface: 209.56
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.