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PUBCHEM-ZINC05932802

 MMsINC code: MMs03450743
Type: Neutral
Formula: C11H11Cl3N2O3
SMILES:   Clc1cc2n(COC(CO)CO)c(Cl)nc2cc1Cl
InChI:   InChI=1/C11H11Cl3N2O3/c12-7-1-9-10(2-8(7)13)16(11(14)15-9)5-19-6(3-17)4-18/h1-2,6,17-18H,3-5H2

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Potential Energy
Epot(MMFF94)=64.9921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.579 g/mol  logS: -3.94626  SlogP: 2.5902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0875204  Sterimol/B1: 2.95574  Sterimol/B2: 3.91063  Sterimol/B3: 4.92912
  Sterimol/B4: 5.79661  Sterimol/L: 14.1518 
 
 Surface and Volume Properties
  Accessible surface: 507.849  Positive charged surface: 247.567  Negative charged surface: 260.282  Volume: 255.75
  Hydrophobic surface: 377.716  Hydrophilic surface: 130.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.