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ENAMINE-ZINC04871182

 MMsINC code: MMs01560950
Type: Neutral
Formula: C19H13ClFNO4
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(OCC(=O)c1ccccc1)=O
InChI:   InChI=1/C19H13ClFNO4/c1-11-16(18(22-26-11)17-13(20)8-5-9-14(17)21)19(24)25-10-15(23)12-6-3-2-4-7-12/h2-9H,10H2,1H3

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Potential Energy
Epot(MMFF94)=88.8164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.767 g/mol  logS: -6.25005  SlogP: 4.48222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110979  Sterimol/B1: 2.24229  Sterimol/B2: 3.7748  Sterimol/B3: 4.4966
  Sterimol/B4: 10.3075  Sterimol/L: 15.2915 
 
 Surface and Volume Properties
  Accessible surface: 610.295  Positive charged surface: 269.674  Negative charged surface: 340.621  Volume: 320.25
  Hydrophobic surface: 529.31  Hydrophilic surface: 80.985
 
 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.