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ACROSORGANICS-ZINC01081234

 MMsINC code: MMs00008506
Type: Ionized
Formula: C5H5N2O4-
SMILES:   O=C1NC(=O)NC1CC(=O)[O-]
InChI:   InChI=1/C5H6N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)/p-1/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=-25.3998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.105 g/mol  logS: -0.27869  SlogP: -2.6656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102147  Sterimol/B1: 2.54463  Sterimol/B2: 3.44295  Sterimol/B3: 3.56509
  Sterimol/B4: 4.16692  Sterimol/L: 9.79003 
 
 Surface and Volume Properties
  Accessible surface: 298.643  Positive charged surface: 150.293  Negative charged surface: 148.35  Volume: 119.75
  Hydrophobic surface: 51.7976  Hydrophilic surface: 246.8454
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00008505
ACROSORGANICS-ZINC01081234