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NCID-ZINC00400293

 MMsINC code: MMs02216286
Type: Neutral
Formula: C15H13ClFNO4
SMILES:   Clc1cc(F)ccc1OC(=O)Nc1cc(OC)ccc1OC
InChI:   InChI=1/C15H13ClFNO4/c1-20-10-4-6-14(21-2)12(8-10)18-15(19)22-13-5-3-9(17)7-11(13)16/h3-8H,1-2H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=85.5531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.723 g/mol  logS: -4.52615  SlogP: 4.1072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0601519  Sterimol/B1: 2.56733  Sterimol/B2: 3.8435  Sterimol/B3: 4.00129
  Sterimol/B4: 9.34443  Sterimol/L: 14.4692 
 
 Surface and Volume Properties
  Accessible surface: 551.026  Positive charged surface: 330.937  Negative charged surface: 220.089  Volume: 276.5
  Hydrophobic surface: 492.35  Hydrophilic surface: 58.676
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.