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ASINEX-ZINC00458492

 MMsINC code: MMs00135590
Type: Neutral
Formula: C15H11ClN2O4
SMILES:   Clc1cc(N2C(=O)CCC2=O)ccc1NC(=O)c1occc1
InChI:   InChI=1/C15H11ClN2O4/c16-10-8-9(18-13(19)5-6-14(18)20)3-4-11(10)17-15(21)12-2-1-7-22-12/h1-4,7-8H,5-6H2,(H,17,21)

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Potential Energy
Epot(MMFF94)=65.4652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.716 g/mol  logS: -4.23682  SlogP: 2.8387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0206464  Sterimol/B1: 2.83952  Sterimol/B2: 3.06482  Sterimol/B3: 3.16903
  Sterimol/B4: 5.56602  Sterimol/L: 16.7502 
 
 Surface and Volume Properties
  Accessible surface: 525.832  Positive charged surface: 246.035  Negative charged surface: 279.796  Volume: 269.25
  Hydrophobic surface: 400.867  Hydrophilic surface: 124.965
 
 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.