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PUBCHEM-ZINC06091476

 MMsINC code: MMs03537488
Type: Neutral
Formula: C12H3Cl4NO4
SMILES:   Clc1c2Oc3cc(Cl)c(Cl)cc3Oc2cc(Cl)c1[N+](=O)[O-]
InChI:   InChI=1/C12H3Cl4NO4/c13-4-1-7-8(2-5(4)14)21-12-9(20-7)3-6(15)11(10(12)16)17(18)19/h1-3H

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Potential Energy
Epot(MMFF94)=63.3308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.971 g/mol  logS: -7.85567  SlogP: 6.1064  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00862149  Sterimol/B1: 2.86415  Sterimol/B2: 2.86497  Sterimol/B3: 2.97545
  Sterimol/B4: 6.12071  Sterimol/L: 14.5689 
 
 Surface and Volume Properties
  Accessible surface: 496.01  Positive charged surface: 119.362  Negative charged surface: 376.648  Volume: 254.25
  Hydrophobic surface: 422.529  Hydrophilic surface: 73.481
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.