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PUBCHEM-ZINC06175342

 MMsINC code: MMs03581477
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)=-1.26406 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: 0.0803915  Sterimol/B1: 2.13622  Sterimol/B2: 3.8141  Sterimol/B3: 3.91691
  Sterimol/B4: 6.20906  Sterimol/L: 14.6246 
 
 Surface and Volume Properties
  Accessible surface: 477.999  Positive charged surface: 286.172  Negative charged surface: 191.827  Volume: 231.375
  Hydrophobic surface: 207.403  Hydrophilic surface: 270.596
 
 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.