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APOLLO-ZINC02147679

 MMsINC code: MMs00050473
Type: Neutral
Formula: C10H16N2O4
SMILES:   O=C1NCCCCC1NC(=O)C(OCC)=O
InChI:   InChI=1/C10H16N2O4/c1-2-16-10(15)9(14)12-7-5-3-4-6-11-8(7)13/h7H,2-6H2,1H3,(H,11,13)(H,12,14)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=52.4085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.248 g/mol  logS: -1.42521  SlogP: -0.6656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560822  Sterimol/B1: 2.64699  Sterimol/B2: 3.04816  Sterimol/B3: 4.25187
  Sterimol/B4: 4.35854  Sterimol/L: 15.1988 
 
 Surface and Volume Properties
  Accessible surface: 450.354  Positive charged surface: 318.6  Negative charged surface: 131.755  Volume: 211.5
  Hydrophobic surface: 273.47  Hydrophilic surface: 176.884
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.