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MICROSOURCE-ZINC00643055

 MMsINC code: MMs02187766
Type: Neutral
Formula: C18H15Cl3N2O
SMILES:   Clc1cc(Cl)ccc1C(OCc1ccc(Cl)cc1)Cn1ccnc1
InChI:   InChI=1/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=72.3016 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: 0.111799  Sterimol/B1: 2.69286  Sterimol/B2: 4.26786  Sterimol/B3: 4.96107
  Sterimol/B4: 6.32908  Sterimol/L: 15.9582 
 
 Surface and Volume Properties
  Accessible surface: 590.614  Positive charged surface: 260.409  Negative charged surface: 330.204  Volume: 333
  Hydrophobic surface: 555.977  Hydrophilic surface: 34.637
 
 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.