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IFLAB-ZINC04497518

 MMsINC code: MMs02055379
Type: Neutral
Formula: C15H13ClN2O3
SMILES:   Clc1ccc(N2CC(NC(=O)c3occc3)CC2=O)cc1
InChI:   InChI=1/C15H13ClN2O3/c16-10-3-5-12(6-4-10)18-9-11(8-14(18)19)17-15(20)13-2-1-7-21-13/h1-7,11H,8-9H2,(H,17,20)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=53.8844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.733 g/mol  logS: -3.93807  SlogP: 2.4683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0305359  Sterimol/B1: 2.93512  Sterimol/B2: 3.28421  Sterimol/B3: 3.71138
  Sterimol/B4: 4.83054  Sterimol/L: 18.4051 
 
 Surface and Volume Properties
  Accessible surface: 524.089  Positive charged surface: 256.459  Negative charged surface: 267.63  Volume: 270.125
  Hydrophobic surface: 434.326  Hydrophilic surface: 89.763
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.