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PUBCHEM-ZINC05567045

 MMsINC code: MMs03308868
Type: Neutral
Formula: C7H2Cl2N2O6
SMILES:   Clc1cc(Cl)c([N+](=O)[O-])c(C(O)=O)c1[N+](=O)[O-]
InChI:   InChI=1/C7H2Cl2N2O6/c8-2-1-3(9)6(11(16)17)4(7(12)13)5(2)10(14)15/h1H,(H,12,13)

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Potential Energy
Epot(MMFF94)=35.1385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.007 g/mol  logS: -4.40332  SlogP: 2.508  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112189  Sterimol/B1: 2.56183  Sterimol/B2: 2.63889  Sterimol/B3: 3.14427
  Sterimol/B4: 7.25924  Sterimol/L: 9.66254 
 
 Surface and Volume Properties
  Accessible surface: 396.749  Positive charged surface: 74.1498  Negative charged surface: 322.599  Volume: 182.375
  Hydrophobic surface: 175.115  Hydrophilic surface: 221.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03308869
PUBCHEM-ZINC05567045