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ENAMINE-ZINC04808436

 MMsINC code: MMs01552624
Type: Neutral
Formula: C14H9ClFNO4
SMILES:   Clc1cc(C(OCc2ccc(F)cc2)=O)c([N+](=O)[O-])cc1
InChI:   InChI=1/C14H9ClFNO4/c15-10-3-6-13(17(19)20)12(7-10)14(18)21-8-9-1-4-11(16)5-2-9/h1-7H,8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.68 g/mol  logS: -5.35401  SlogP: 4.0107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829224  Sterimol/B1: 2.74448  Sterimol/B2: 4.5303  Sterimol/B3: 5.0433
  Sterimol/B4: 5.4788  Sterimol/L: 14.4314 
 
 Surface and Volume Properties
  Accessible surface: 508.398  Positive charged surface: 198.517  Negative charged surface: 309.881  Volume: 252.75
  Hydrophobic surface: 407.16  Hydrophilic surface: 101.238
 
 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.