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PUBCHEM-ZINC00900759

 MMsINC code: MMs02742204
Type: Neutral
Formula: C14H8Cl2FNO5
SMILES:   Clc1cc(Cl)cc(F)c1Oc1cc(C(OC)=O)c([N+](=O)[O-])cc1
InChI:   InChI=1/C14H8Cl2FNO5/c1-22-14(19)9-6-8(2-3-12(9)18(20)21)23-13-10(16)4-7(15)5-11(13)17/h2-6H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.2774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.124 g/mol  logS: -6.10311  SlogP: 4.6196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0738229  Sterimol/B1: 2.31271  Sterimol/B2: 4.18543  Sterimol/B3: 4.28702
  Sterimol/B4: 7.02347  Sterimol/L: 16.346 
 
 Surface and Volume Properties
  Accessible surface: 534.323  Positive charged surface: 209.966  Negative charged surface: 324.357  Volume: 271.75
  Hydrophobic surface: 434.317  Hydrophilic surface: 100.006
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.