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ENAMINE-ZINC00142184

 MMsINC code: MMs01225368
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+

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Potential Energy
Epot(MMFF94)=37.8368 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: 0.126119  Sterimol/B1: 2.39187  Sterimol/B2: 3.98906  Sterimol/B3: 4.00574
  Sterimol/B4: 4.44863  Sterimol/L: 11.8765 
 
 Surface and Volume Properties
  Accessible surface: 405.628  Positive charged surface: 242.009  Negative charged surface: 163.619  Volume: 197.375
  Hydrophobic surface: 241.182  Hydrophilic surface: 164.446
 
 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.