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NCID-ZINC05460756

 MMsINC code: MMs02463793
Type: Neutral
Formula: C8H14N2O4
SMILES:   O=C1NC(C(O)C)C(=O)NC1C(O)C
InChI:   InChI=1/C8H14N2O4/c1-3(11)5-7(13)10-6(4(2)12)8(14)9-5/h3-6,11-12H,1-2H3,(H,9,14)(H,10,13)/t3-,4-,5+,6+/m1/s1

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Potential Energy
Epot(MMFF94)=83.602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.21 g/mol  logS: -0.33386  SlogP: -2.2688  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.28375  Sterimol/B1: 2.19006  Sterimol/B2: 3.25406  Sterimol/B3: 4.2878
  Sterimol/B4: 5.82515  Sterimol/L: 10.3532 
 
 Surface and Volume Properties
  Accessible surface: 372.111  Positive charged surface: 254.67  Negative charged surface: 117.441  Volume: 180.375
  Hydrophobic surface: 145.49  Hydrophilic surface: 226.621
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.