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NCID-ZINC05340824

 MMsINC code: MMs02453278
Type: Neutral
Formula: C14H8Cl2N2O4
SMILES:   Clc1cc(ccc1[N+](=O)[O-])\C=C/c1cc(Cl)c([N+](=O)[O-])cc1
InChI:   InChI=1/C14H8Cl2N2O4/c15-11-7-9(3-5-13(11)17(19)20)1-2-10-4-6-14(18(21)22)12(16)8-10/h1-8H/b2-1-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.134 g/mol  logS: -7.3081  SlogP: 4.9802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112207  Sterimol/B1: 2.30842  Sterimol/B2: 4.14997  Sterimol/B3: 4.72628
  Sterimol/B4: 5.35061  Sterimol/L: 13.7092 
 
 Surface and Volume Properties
  Accessible surface: 488.716  Positive charged surface: 152.037  Negative charged surface: 336.678  Volume: 263.625
  Hydrophobic surface: 344.375  Hydrophilic surface: 144.341
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.