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PUBCHEM-ZINC04672259

 MMsINC code: MMs03151514
Type: Neutral
Formula: C6H12N2O3
SMILES:   OCCNC(=O)C(=O)NCC
InChI:   InChI=1/C6H12N2O3/c1-2-7-5(10)6(11)8-3-4-9/h9H,2-4H2,1H3,(H,7,10)(H,8,11)

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Potential Energy
Epot(MMFF94)=24.4965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.173 g/mol  logS: -0.06035  SlogP: -1.769  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0306252  Sterimol/B1: 2.56104  Sterimol/B2: 2.72798  Sterimol/B3: 3.22846
  Sterimol/B4: 3.50819  Sterimol/L: 13.2981 
 
 Surface and Volume Properties
  Accessible surface: 375.386  Positive charged surface: 280.5  Negative charged surface: 94.8857  Volume: 153.875
  Hydrophobic surface: 196.28  Hydrophilic surface: 179.106
 
 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.