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CHEMDIV-ZINC03030829

 MMsINC code: MMs00905305
Type: Ionized
Formula: C12H8Cl2NO4-
SMILES:   Clc1cc(cc(Cl)c1OC)-c1noc(C)c1C(=O)[O-]
InChI:   InChI=1/C12H9Cl2NO4/c1-5-9(12(16)17)10(15-19-5)6-3-7(13)11(18-2)8(14)4-6/h3-4H,1-2H3,(H,16,17)/p-1

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Potential Energy
Epot(MMFF94)=41.0971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.105 g/mol  logS: -4.48861  SlogP: 2.32892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472396  Sterimol/B1: 2.52158  Sterimol/B2: 3.83412  Sterimol/B3: 4.17806
  Sterimol/B4: 5.04105  Sterimol/L: 14.4837 
 
 Surface and Volume Properties
  Accessible surface: 468.631  Positive charged surface: 187.307  Negative charged surface: 281.324  Volume: 239.25
  Hydrophobic surface: 356.829  Hydrophilic surface: 111.802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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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MMs00905304
CHEMDIV-ZINC03030829