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PUBCHEM-ZINC05828382

 MMsINC code: MMs03403878
Type: Neutral
Formula: C5H10N2O3
SMILES:   OC(=O)CCC(=O)NCN
InChI:   InChI=1/C5H10N2O3/c6-3-7-4(8)1-2-5(9)10/h1-3,6H2,(H,7,8)(H,9,10)

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Potential Energy
Epot(MMFF94)=-27.6759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.146 g/mol  logS: 1.08035  SlogP: -1.1164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557878  Sterimol/B1: 2.47604  Sterimol/B2: 2.59541  Sterimol/B3: 3.01404
  Sterimol/B4: 3.64877  Sterimol/L: 12.283 
 
 Surface and Volume Properties
  Accessible surface: 338.065  Positive charged surface: 245.084  Negative charged surface: 92.9813  Volume: 133.125
  Hydrophobic surface: 110.101  Hydrophilic surface: 227.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.