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CHEMBRIDGE-ZINC04251555

 MMsINC code: MMs00766657
Type: Neutral
Formula: C13H15ClN2O3
SMILES:   Clc1ccc(cc1)C(=O)NC(=O)NCC1OCCC1
InChI:   InChI=1/C13H15ClN2O3/c14-10-5-3-9(4-6-10)12(17)16-13(18)15-8-11-2-1-7-19-11/h3-6,11H,1-2,7-8H2,(H2,15,16,17,18)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=36.4336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.727 g/mol  logS: -3.18885  SlogP: 1.9584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0226454  Sterimol/B1: 2.81541  Sterimol/B2: 2.88033  Sterimol/B3: 3.33183
  Sterimol/B4: 5.26872  Sterimol/L: 17.8967 
 
 Surface and Volume Properties
  Accessible surface: 513.096  Positive charged surface: 303.59  Negative charged surface: 209.506  Volume: 255.5
  Hydrophobic surface: 413.147  Hydrophilic surface: 99.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.