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PUBCHEM-ZINC06487544

 MMsINC code: MMs03762387
Type: Neutral
Formula: C6H14N2O3
SMILES:   OC(N)(C(N)C)CCC(O)=O
InChI:   InChI=1/C6H14N2O3/c1-4(7)6(8,11)3-2-5(9)10/h4,11H,2-3,7-8H2,1H3,(H,9,10)/t4-,6+/m0/s1

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Potential Energy
Epot(MMFF94)=8.0644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.189 g/mol  logS: 0.76658  SlogP: -1.1543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155236  Sterimol/B1: 2.96623  Sterimol/B2: 3.05393  Sterimol/B3: 3.70734
  Sterimol/B4: 4.17073  Sterimol/L: 11.8722 
 
 Surface and Volume Properties
  Accessible surface: 350.511  Positive charged surface: 245.244  Negative charged surface: 105.267  Volume: 152.75
  Hydrophobic surface: 112.153  Hydrophilic surface: 238.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.