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NCID-ZINC05004534

 MMsINC code: MMs02426758
Type: Neutral
Formula: C10H14N2O6
SMILES:   O1C2C(N(C)C1=O)C1OC(=O)N(C1C(O)C2O)C
InChI:   InChI=1/C10H14N2O6/c1-11-3-5(13)6(14)8-4(7(3)17-9(11)15)12(2)10(16)18-8/h3-8,13-14H,1-2H3/t3-,4-,5+,6+,7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=89.8035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.23 g/mol  logS: 0.08122  SlogP: -1.6398  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.262685  Sterimol/B1: 2.90841  Sterimol/B2: 3.22472  Sterimol/B3: 4.26975
  Sterimol/B4: 5.40024  Sterimol/L: 10.9493 
 
 Surface and Volume Properties
  Accessible surface: 395.828  Positive charged surface: 290.027  Negative charged surface: 105.801  Volume: 209.5
  Hydrophobic surface: 205.988  Hydrophilic surface: 189.84
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.