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PUBCHEM-ZINC03051514

 MMsINC code: MMs02986586
Type: Neutral
Formula: C14H12Cl3NO2
SMILES:   ClC(Cl)(Cl)C(O)NC(=O)Cc1c2c(ccc1)cccc2
InChI:   InChI=1/C14H12Cl3NO2/c15-14(16,17)13(20)18-12(19)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,13,20H,8H2,(H,18,19)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=72.5107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.614 g/mol  logS: -5.55631  SlogP: 3.60697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0724823  Sterimol/B1: 2.80914  Sterimol/B2: 3.52136  Sterimol/B3: 3.57705
  Sterimol/B4: 7.16861  Sterimol/L: 14.6432 
 
 Surface and Volume Properties
  Accessible surface: 526.699  Positive charged surface: 195.378  Negative charged surface: 322.479  Volume: 275.875
  Hydrophobic surface: 293.836  Hydrophilic surface: 232.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.