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PUBCHEM-ZINC05117064

 MMsINC code: MMs03204682
Type: Neutral
Formula: C18H15Cl3N2O
SMILES:   Clc1cccc(Cl)c1COC(Cn1ccnc1)c1ccc(Cl)cc1
InChI:   InChI=1/C18H15Cl3N2O/c19-14-6-4-13(5-7-14)18(10-23-9-8-22-12-23)24-11-15-16(20)2-1-3-17(15)21/h1-9,12,18H,10-11H2/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=57.0647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.69 g/mol  logS: -5.76442  SlogP: 6.4297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117956  Sterimol/B1: 3.23804  Sterimol/B2: 3.3701  Sterimol/B3: 3.5274
  Sterimol/B4: 8.69842  Sterimol/L: 14.6665 
 
 Surface and Volume Properties
  Accessible surface: 571.853  Positive charged surface: 289.373  Negative charged surface: 282.48  Volume: 334.5
  Hydrophobic surface: 535.796  Hydrophilic surface: 36.057
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.