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ENAMINE-ZINC05694987

 MMsINC code: MMs01634542
Type: Neutral
Formula: C12H12Cl2N2O
SMILES:   Clc1cccc(Cl)c1OCCCn1ccnc1
InChI:   InChI=1/C12H12Cl2N2O/c13-10-3-1-4-11(14)12(10)17-8-2-6-16-7-5-15-9-16/h1,3-5,7,9H,2,6,8H2

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Potential Energy
Epot(MMFF94)=42.0967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.147 g/mol  logS: -3.39818  SlogP: 3.9254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0288086  Sterimol/B1: 2.81855  Sterimol/B2: 2.81959  Sterimol/B3: 4.70178
  Sterimol/B4: 4.79416  Sterimol/L: 15.5441 
 
 Surface and Volume Properties
  Accessible surface: 485.911  Positive charged surface: 269.303  Negative charged surface: 216.608  Volume: 239.875
  Hydrophobic surface: 442.487  Hydrophilic surface: 43.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.