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CHEMBRIDGE-ZINC04192183

 MMsINC code: MMs00765503
Type: Neutral
Formula: C18H19ClN2O3
SMILES:   Clc1c(cc(OCC(O\N=C(\N)/c2ccc(cc2)C)=O)cc1C)C
InChI:   InChI=1/C18H19ClN2O3/c1-11-4-6-14(7-5-11)18(20)21-24-16(22)10-23-15-8-12(2)17(19)13(3)9-15/h4-9H,10H2,1-3H3,(H2,20,21)

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Potential Energy
Epot(MMFF94)=114.723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.814 g/mol  logS: -5.5342  SlogP: 3.50776  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00482384  Sterimol/B1: 2.37983  Sterimol/B2: 2.51238  Sterimol/B3: 3.58113
  Sterimol/B4: 5.77821  Sterimol/L: 20.7582 
 
 Surface and Volume Properties
  Accessible surface: 634.513  Positive charged surface: 358.436  Negative charged surface: 276.077  Volume: 325.75
  Hydrophobic surface: 516.386  Hydrophilic surface: 118.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.