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ALFAAESAR-ZINC04289464

 MMsINC code: MMs00024697
Type: Neutral
Formula: C6H4Cl2N2O2
SMILES:   Clc1cc(N)c([N+](=O)[O-])cc1Cl
InChI:   InChI=1/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.9462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.016 g/mol  logS: -3.36457  SlogP: 2.4838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0136419  Sterimol/B1: 2.36294  Sterimol/B2: 2.48926  Sterimol/B3: 2.56275
  Sterimol/B4: 5.50275  Sterimol/L: 10.1448 
 
 Surface and Volume Properties
  Accessible surface: 337.031  Positive charged surface: 100.546  Negative charged surface: 236.484  Volume: 151.375
  Hydrophobic surface: 210.571  Hydrophilic surface: 126.46
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.