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CHEMSTAR-ZINC02736899

 MMsINC code: MMs01081919
Type: Neutral
Formula: C10H9ClFNO3
SMILES:   Clc1cc(NC(=O)CCC(O)=O)ccc1F
InChI:   InChI=1/C10H9ClFNO3/c11-7-5-6(1-2-8(7)12)13-9(14)3-4-10(15)16/h1-2,5H,3-4H2,(H,13,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=26.064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.637 g/mol  logS: -2.37592  SlogP: 2.2824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0220936  Sterimol/B1: 2.42349  Sterimol/B2: 3.02665  Sterimol/B3: 3.19721
  Sterimol/B4: 4.85323  Sterimol/L: 15.0741 
 
 Surface and Volume Properties
  Accessible surface: 435.101  Positive charged surface: 215.692  Negative charged surface: 219.41  Volume: 200.375
  Hydrophobic surface: 293.202  Hydrophilic surface: 141.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01081920
CHEMSTAR-ZINC02736899