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ENAMINE-ZINC04808487

 MMsINC code: MMs01552639
Type: Neutral
Formula: C15H9ClFNO5
SMILES:   Clc1cc(C(OCC(=O)c2ccccc2F)=O)c([N+](=O)[O-])cc1
InChI:   InChI=1/C15H9ClFNO5/c16-9-5-6-13(18(21)22)11(7-9)15(20)23-8-14(19)10-3-1-2-4-12(10)17/h1-7H,8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.69 g/mol  logS: -5.68536  SlogP: 3.427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0330149  Sterimol/B1: 2.43183  Sterimol/B2: 3.56054  Sterimol/B3: 3.74231
  Sterimol/B4: 6.39307  Sterimol/L: 16.5461 
 
 Surface and Volume Properties
  Accessible surface: 535.349  Positive charged surface: 209.194  Negative charged surface: 326.154  Volume: 269.75
  Hydrophobic surface: 404.606  Hydrophilic surface: 130.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.