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PUBCHEM-ZINC05526898

 MMsINC code: MMs03297840
Type: Neutral
Formula: C18H13Cl2NO4
SMILES:   Clc1cc(ccc1Cl)-c1onc(c1)COC(=O)c1ccc(OC)cc1
InChI:   InChI=1/C18H13Cl2NO4/c1-23-14-5-2-11(3-6-14)18(22)24-10-13-9-17(25-21-13)12-4-7-15(19)16(20)8-12/h2-9H,10H2,1H3

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Potential Energy
Epot(MMFF94)=91.774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.211 g/mol  logS: -6.24792  SlogP: 5.2804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00442889  Sterimol/B1: 2.37519  Sterimol/B2: 2.37823  Sterimol/B3: 3.05523
  Sterimol/B4: 8.25326  Sterimol/L: 16.9568 
 
 Surface and Volume Properties
  Accessible surface: 615.581  Positive charged surface: 288.638  Negative charged surface: 326.942  Volume: 323.125
  Hydrophobic surface: 533.954  Hydrophilic surface: 81.627
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.