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PUBCHEM-ZINC06091347

 MMsINC code: MMs03537346
Type: Ionized
Formula: C10H8Cl2NO4-
SMILES:   Clc1cc(NC(=O)C(O)CC(=O)[O-])cc(Cl)c1
InChI:   InChI=1/C10H9Cl2NO4/c11-5-1-6(12)3-7(2-5)13-10(17)8(14)4-9(15)16/h1-3,8,14H,4H2,(H,13,17)(H,15,16)/p-1/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.7358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.083 g/mol  logS: -2.99122  SlogP: 0.4328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0336474  Sterimol/B1: 2.94932  Sterimol/B2: 3.05689  Sterimol/B3: 3.40393
  Sterimol/B4: 6.02595  Sterimol/L: 12.2772 
 
 Surface and Volume Properties
  Accessible surface: 440.827  Positive charged surface: 158.801  Negative charged surface: 282.026  Volume: 213.5
  Hydrophobic surface: 288.639  Hydrophilic surface: 152.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs03537345
PUBCHEM-ZINC06091347