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MAYBRIDGE-ZINC04333483

 MMsINC code: MMs02167496
Type: Neutral
Formula: C20H13Cl3N2O
SMILES:   Clc1cc(ccc1Cl)COC=1c2nc(cn2C=CC=1)-c1ccc(Cl)cc1
InChI:   InChI=1/C20H13Cl3N2O/c21-15-6-4-14(5-7-15)18-11-25-9-1-2-19(20(25)24-18)26-12-13-3-8-16(22)17(23)10-13/h1-11H,12H2

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Potential Energy
Epot(MMFF94)=85.4829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.696 g/mol  logS: -7.06808  SlogP: 6.8187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0444473  Sterimol/B1: 2.52391  Sterimol/B2: 3.71655  Sterimol/B3: 4.64428
  Sterimol/B4: 9.79791  Sterimol/L: 17.5526 
 
 Surface and Volume Properties
  Accessible surface: 651.271  Positive charged surface: 254.42  Negative charged surface: 396.851  Volume: 346.25
  Hydrophobic surface: 615.668  Hydrophilic surface: 35.603
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.