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PUBCHEM-ZINC06574931

 MMsINC code: MMs03804632
Type: Neutral
Formula: C11H10N2O3
SMILES:   O1NC(=C2C1C(O)NC2=O)c1ccccc1
InChI:   InChI=1/C11H10N2O3/c14-10-7-8(6-4-2-1-3-5-6)13-16-9(7)11(15)12-10/h1-5,9,11,13,15H,(H,12,14)/t9-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=73.215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.212 g/mol  logS: -1.92777  SlogP: -0.2507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0505377  Sterimol/B1: 3.09258  Sterimol/B2: 3.40674  Sterimol/B3: 3.63421
  Sterimol/B4: 4.65575  Sterimol/L: 12.3642 
 
 Surface and Volume Properties
  Accessible surface: 399.78  Positive charged surface: 235.541  Negative charged surface: 164.239  Volume: 193.5
  Hydrophobic surface: 229.53  Hydrophilic surface: 170.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.