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PUBCHEM-ZINC05974674

 MMsINC code: MMs03470394
Type: Neutral
Formula: C18H16Cl2N2O
SMILES:   Clc1cc(Cl)ccc1C(OCCn1ccnc1)c1ccccc1
InChI:   InChI=1/C18H16Cl2N2O/c19-15-6-7-16(17(20)12-15)18(14-4-2-1-3-5-14)23-11-10-22-9-8-21-13-22/h1-9,12-13,18H,10-11H2/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=59.7885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.245 g/mol  logS: -5.03013  SlogP: 5.358  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151444  Sterimol/B1: 2.51067  Sterimol/B2: 3.54355  Sterimol/B3: 5.15719
  Sterimol/B4: 9.62271  Sterimol/L: 15.7682 
 
 Surface and Volume Properties
  Accessible surface: 588.2  Positive charged surface: 314.273  Negative charged surface: 273.927  Volume: 319.375
  Hydrophobic surface: 551.478  Hydrophilic surface: 36.722
 
 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.