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PUBCHEM-ZINC06091987

 MMsINC code: MMs03538074
Type: Neutral
Formula: C11H12Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1C(O)C[N+]1([O-])CNCC1=O
InChI:   InChI=1/C11H12Cl2N2O3/c12-7-1-2-8(9(13)3-7)10(16)5-15(18)6-14-4-11(15)17/h1-3,10,14,16H,4-6H2/t10-,15+/m0/s1

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Potential Energy
Epot(MMFF94)=87.4713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.134 g/mol  logS: -2.64563  SlogP: 1.5242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0941095  Sterimol/B1: 2.81718  Sterimol/B2: 3.32374  Sterimol/B3: 3.84337
  Sterimol/B4: 5.52094  Sterimol/L: 14.1636 
 
 Surface and Volume Properties
  Accessible surface: 447.919  Positive charged surface: 211.249  Negative charged surface: 236.671  Volume: 238.875
  Hydrophobic surface: 325.949  Hydrophilic surface: 121.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.