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DSC-ZINC00142192

 MMsINC code: MMs01221645
Type: Neutral
Formula: C11H11NO4
SMILES:   OC1C(O)C(=O)N(Cc2ccccc2)C1=O
InChI:   InChI=1/C11H11NO4/c13-8-9(14)11(16)12(10(8)15)6-7-4-2-1-3-5-7/h1-5,8-9,13-14H,6H2/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=30.3592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.212 g/mol  logS: -1.55609  SlogP: -0.4564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156212  Sterimol/B1: 2.45697  Sterimol/B2: 3.88615  Sterimol/B3: 4.09583
  Sterimol/B4: 4.7101  Sterimol/L: 11.8585 
 
 Surface and Volume Properties
  Accessible surface: 405.97  Positive charged surface: 236.16  Negative charged surface: 169.811  Volume: 198.625
  Hydrophobic surface: 236.167  Hydrophilic surface: 169.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.