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ENAMINE-ZINC03498322

 MMsINC code: MMs01475354
Type: Neutral
Formula: C16H13ClFNO6
SMILES:   Clc1cccc(F)c1COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]
InChI:   InChI=1/C16H13ClFNO6/c1-23-14-6-9(13(19(21)22)7-15(14)24-2)16(20)25-8-10-11(17)4-3-5-12(10)18/h3-7H,8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.7969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.732 g/mol  logS: -5.45477  SlogP: 4.0279  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606417  Sterimol/B1: 2.56511  Sterimol/B2: 3.9057  Sterimol/B3: 4.69279
  Sterimol/B4: 8.69678  Sterimol/L: 16.5208 
 
 Surface and Volume Properties
  Accessible surface: 583.994  Positive charged surface: 319.314  Negative charged surface: 264.68  Volume: 301.625
  Hydrophobic surface: 463.897  Hydrophilic surface: 120.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.