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PUBCHEM-ZINC05542678

 MMsINC code: MMs03302516
Type: Neutral
Formula: C11H10Cl2N2O
SMILES:   Clc1cc2n(cnc2cc1Cl)C1OCCC1
InChI:   InChI=1/C11H10Cl2N2O/c12-7-4-9-10(5-8(7)13)15(6-14-9)11-2-1-3-16-11/h4-6,11H,1-3H2/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=37.7179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.12 g/mol  logS: -3.74292  SlogP: 3.7476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0598427  Sterimol/B1: 2.85327  Sterimol/B2: 2.85506  Sterimol/B3: 3.40235
  Sterimol/B4: 5.9194  Sterimol/L: 13.3725 
 
 Surface and Volume Properties
  Accessible surface: 426.541  Positive charged surface: 218.293  Negative charged surface: 208.248  Volume: 217.875
  Hydrophobic surface: 377.838  Hydrophilic surface: 48.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.