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ACROSORGANICS-ZINC03861627

 MMsINC code: MMs00016024
Type: Neutral
Formula: C10H10N4O6
SMILES:   O=C(Nc1ccc(NC(=O)C)c([N+](=O)[O-])c1[N+](=O)[O-])C
InChI:   InChI=1/C10H10N4O6/c1-5(15)11-7-3-4-8(12-6(2)16)10(14(19)20)9(7)13(17)18/h3-4H,1-2H3,(H,11,15)(H,12,16)

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Potential Energy
Epot(MMFF94)=83.0032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.212 g/mol  logS: -3.38424  SlogP: 1.4198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0345858  Sterimol/B1: 2.72006  Sterimol/B2: 2.97744  Sterimol/B3: 3.19357
  Sterimol/B4: 5.72923  Sterimol/L: 13.9735 
 
 Surface and Volume Properties
  Accessible surface: 467.947  Positive charged surface: 205.145  Negative charged surface: 262.802  Volume: 224.75
  Hydrophobic surface: 240.011  Hydrophilic surface: 227.936
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.