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APOLLO-ZINC02243127

 MMsINC code: MMs00051103
Type: Neutral
Formula: C7H5ClFNO2
SMILES:   Clc1cc(F)cc([N+](=O)[O-])c1C
InChI:   InChI=1/C7H5ClFNO2/c1-4-6(8)2-5(9)3-7(4)10(11)12/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.6085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.573 g/mol  logS: -3.36485  SlogP: 2.69572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407601  Sterimol/B1: 2.36929  Sterimol/B2: 2.50172  Sterimol/B3: 4.1094
  Sterimol/B4: 5.68916  Sterimol/L: 9.08899 
 
 Surface and Volume Properties
  Accessible surface: 329.211  Positive charged surface: 104.927  Negative charged surface: 224.284  Volume: 145.375
  Hydrophobic surface: 256.927  Hydrophilic surface: 72.284
 
 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.