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ASINEX-ZINC00065278

 MMsINC code: MMs00068013
Type: Neutral
Formula: C11H9ClN2O4
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)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=31.7023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.656 g/mol  logS: -2.4704  SlogP: 1.2395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0329293  Sterimol/B1: 2.64111  Sterimol/B2: 2.97958  Sterimol/B3: 3.03687
  Sterimol/B4: 5.40969  Sterimol/L: 15.587 
 
 Surface and Volume Properties
  Accessible surface: 439.506  Positive charged surface: 210.019  Negative charged surface: 229.487  Volume: 215.25
  Hydrophobic surface: 255.366  Hydrophilic surface: 184.14
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00068014
ASINEX-ZINC00065278