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CHEMBRIDGE-ZINC02964066

 MMsINC code: MMs00743805
Type: Neutral
Formula: C13H10N2O5
SMILES:   O=C1NC(=O)NC(=O)C1=Cc1ccc(cc1)C(OC)=O
InChI:   InChI=1/C13H10N2O5/c1-20-12(18)8-4-2-7(3-5-8)6-9-10(16)14-13(19)15-11(9)17/h2-6H,1H3,(H2,14,15,16,17,19)

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Potential Energy
Epot(MMFF94)=25.0169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.232 g/mol  logS: -3.19283  SlogP: 0.2226  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0337885  Sterimol/B1: 2.69399  Sterimol/B2: 2.85586  Sterimol/B3: 2.86717
  Sterimol/B4: 5.59222  Sterimol/L: 15.0142 
 
 Surface and Volume Properties
  Accessible surface: 472.612  Positive charged surface: 290.1  Negative charged surface: 182.512  Volume: 232.625
  Hydrophobic surface: 247.684  Hydrophilic surface: 224.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.