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NCID-ZINC01700191

 MMsINC code: MMs02329981
Type: Neutral
Formula: C3H2N2O3
SMILES:   O=C1NC(=O)NC1=O
InChI:   InChI=1/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)

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Potential Energy
Epot(MMFF94)=-15.2132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.06 g/mol  logS: -0.52779  SlogP: -1.6476  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.47374e-06  Sterimol/B1: 1.992  Sterimol/B2: 1.99525  Sterimol/B3: 2.57326
  Sterimol/B4: 4.08039  Sterimol/L: 7.73383 
 
 Surface and Volume Properties
  Accessible surface: 237.999  Positive charged surface: 117.845  Negative charged surface: 120.153  Volume: 79.125
  Hydrophobic surface: 0  Hydrophilic surface: 237.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.