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APOLLO-ZINC04334594

 MMsINC code: MMs00059115
Type: Neutral
Formula: C6H4ClFN2O2
SMILES:   Clc1cc([N+](=O)[O-])c(F)cc1N
InChI:   InChI=1/C6H4ClFN2O2/c7-3-1-6(10(11)12)4(8)2-5(3)9/h1-2H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.6553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.561 g/mol  logS: -2.92526  SlogP: 1.9695  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.68576e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09894  Sterimol/B3: 2.5566
  Sterimol/B4: 5.90585  Sterimol/L: 10.0557 
 
 Surface and Volume Properties
  Accessible surface: 320.036  Positive charged surface: 113.104  Negative charged surface: 206.931  Volume: 140.25
  Hydrophobic surface: 187.686  Hydrophilic surface: 132.35
 
 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.