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NCID-ZINC01607132

 MMsINC code: MMs02258965
Type: Neutral
Formula: C7H14N2O4
SMILES:   OC(C(NC(=O)CCN)C(O)=O)C
InChI:   InChI=1/C7H14N2O4/c1-4(10)6(7(12)13)9-5(11)2-3-8/h4,6,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4-,6-/m0/s1

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Potential Energy
Epot(MMFF94)=28.8136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.199 g/mol  logS: 0.5431  SlogP: -1.7146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0697212  Sterimol/B1: 2.38927  Sterimol/B2: 2.76554  Sterimol/B3: 3.19424
  Sterimol/B4: 6.24042  Sterimol/L: 12.4684 
 
 Surface and Volume Properties
  Accessible surface: 384.467  Positive charged surface: 276.419  Negative charged surface: 108.048  Volume: 172.875
  Hydrophobic surface: 146.47  Hydrophilic surface: 237.997
 
 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.