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PUBCHEM-ZINC02034128

 MMsINC code: MMs02860465
Type: Neutral
Formula: C11H10Cl2N2O5
SMILES:   ClC(Cl)C(=O)NC(C(=O)c1ccc([N+](=O)[O-])cc1)CO
InChI:   InChI=1/C11H10Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8,10,16H,5H2,(H,14,18)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=94.0424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.116 g/mol  logS: -3.86134  SlogP: 1.4782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0982677  Sterimol/B1: 2.73977  Sterimol/B2: 4.05095  Sterimol/B3: 4.31079
  Sterimol/B4: 5.00492  Sterimol/L: 16.0186 
 
 Surface and Volume Properties
  Accessible surface: 504.966  Positive charged surface: 185.078  Negative charged surface: 319.888  Volume: 250.25
  Hydrophobic surface: 185.312  Hydrophilic surface: 319.654
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.