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PUBCHEM-ZINC03072875

 MMsINC code: MMs02989433
Type: Neutral
Formula: C5H10N2O3
SMILES:   OCCNC(=O)C(=O)NC
InChI:   InChI=1/C5H10N2O3/c1-6-4(9)5(10)7-2-3-8/h8H,2-3H2,1H3,(H,6,9)(H,7,10)

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Potential Energy
Epot(MMFF94)=24.6889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.146 g/mol  logS: 0.26686  SlogP: -2.1591  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0355337  Sterimol/B1: 2.61403  Sterimol/B2: 2.66589  Sterimol/B3: 2.76222
  Sterimol/B4: 3.91216  Sterimol/L: 12.0641 
 
 Surface and Volume Properties
  Accessible surface: 337.557  Positive charged surface: 268.784  Negative charged surface: 68.773  Volume: 135.125
  Hydrophobic surface: 182.966  Hydrophilic surface: 154.591
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.