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MAYBRIDGE-ZINC04394572

 MMsINC code: MMs02174644
Type: Neutral
Formula: C13H10N2O4
SMILES:   o1nc(cc1C)C(Oc1noc2c1cc(cc2)C)=O
InChI:   InChI=1/C13H10N2O4/c1-7-3-4-11-9(5-7)12(15-19-11)17-13(16)10-6-8(2)18-14-10/h3-6H,1-2H3

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Potential Energy
Epot(MMFF94)=71.8444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.233 g/mol  logS: -3.88981  SlogP: 2.65184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00605065  Sterimol/B1: 2.20008  Sterimol/B2: 2.51223  Sterimol/B3: 2.51413
  Sterimol/B4: 6.6663  Sterimol/L: 15.8308 
 
 Surface and Volume Properties
  Accessible surface: 476.815  Positive charged surface: 235.702  Negative charged surface: 235.484  Volume: 229.625
  Hydrophobic surface: 374.17  Hydrophilic surface: 102.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.