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ASINEX-ZINC00065278

 MMsINC code: MMs00068014
Type: Ionized
Formula: C11H8ClN2O4-
SMILES:   Clc1ccc(N2C(=O)C(NC2=O)CC(=O)[O-])cc1
InChI:   InChI=1/C11H9ClN2O4/c12-6-1-3-7(4-2-6)14-10(17)8(5-9(15)16)13-11(14)18/h1-4,8H,5H2,(H,13,18)(H,15,16)/p-1/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=15.7919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.648 g/mol  logS: -2.73085  SlogP: -0.0952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0277764  Sterimol/B1: 2.62281  Sterimol/B2: 2.83394  Sterimol/B3: 3.21544
  Sterimol/B4: 5.50567  Sterimol/L: 15.4602 
 
 Surface and Volume Properties
  Accessible surface: 437.455  Positive charged surface: 185.425  Negative charged surface: 252.03  Volume: 215.125
  Hydrophobic surface: 257.668  Hydrophilic surface: 179.787
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00068013
ASINEX-ZINC00065278