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PUBCHEM-ZINC06175343

 MMsINC code: MMs03581478
Type: Neutral
Formula: C11H13N3O6
SMILES:   O=C1NC(=O)NC1COC(=O)C(N1C(=O)CCC1=O)C
InChI:   InChI=1/C11H13N3O6/c1-5(14-7(15)2-3-8(14)16)10(18)20-4-6-9(17)13-11(19)12-6/h5-6H,2-4H2,1H3,(H2,12,13,17,19)/t5-,6-/m0/s1

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Potential Energy
Epot(MMFF94)=-1.374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.24 g/mol  logS: -1.24243  SlogP: -1.7249  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0995869  Sterimol/B1: 2.19911  Sterimol/B2: 2.27774  Sterimol/B3: 5.26804
  Sterimol/B4: 5.45317  Sterimol/L: 14.5134 
 
 Surface and Volume Properties
  Accessible surface: 483.113  Positive charged surface: 293.092  Negative charged surface: 190.021  Volume: 233.875
  Hydrophobic surface: 209.527  Hydrophilic surface: 273.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.