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CHEMSTAR-ZINC04144474

 MMsINC code: MMs01108577
Type: Neutral
Formula: C11H12N2O4
SMILES:   O1c2cc(ccc2OC1)/C(=N\NC(OC)=O)/C
InChI:   InChI=1/C11H12N2O4/c1-7(12-13-11(14)15-2)8-3-4-9-10(5-8)17-6-16-9/h3-5H,6H2,1-2H3,(H,13,14)/b12-7+

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Potential Energy
Epot(MMFF94)=66.8923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.227 g/mol  logS: -2.10833  SlogP: 1.4953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0157835  Sterimol/B1: 2.02067  Sterimol/B2: 2.44255  Sterimol/B3: 2.64846
  Sterimol/B4: 7.44163  Sterimol/L: 13.3109 
 
 Surface and Volume Properties
  Accessible surface: 454.721  Positive charged surface: 310.778  Negative charged surface: 143.943  Volume: 213.375
  Hydrophobic surface: 317.964  Hydrophilic surface: 136.757
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.