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PUBCHEM-ZINC05065073

 MMsINC code: MMs03196173
Type: Neutral
Formula: C11H10N4O5
SMILES:   O=C1NC(=O)NC1CC(=O)Nc1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C11H10N4O5/c16-9(5-8-10(17)14-11(18)13-8)12-6-1-3-7(4-2-6)15(19)20/h1-4,8H,5H2,(H,12,16)(H2,13,14,17,18)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=38.25 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.224 g/mol  logS: -2.80906  SlogP: 0.1314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0639874  Sterimol/B1: 2.4273  Sterimol/B2: 3.54377  Sterimol/B3: 3.83119
  Sterimol/B4: 5.08044  Sterimol/L: 15.6198 
 
 Surface and Volume Properties
  Accessible surface: 469.584  Positive charged surface: 232.333  Negative charged surface: 237.251  Volume: 223.25
  Hydrophobic surface: 192.493  Hydrophilic surface: 277.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.