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PUBCHEM-ZINC04202264

 MMsINC code: MMs03098682
Type: Neutral
Formula: C10H18N2O4
SMILES:   O(C(C)(C)C)C(=O)N1CC(NCC1)C(O)=O
InChI:   InChI=1/C10H18N2O4/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=50.4251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -0.62719  SlogP: 0.2799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103033  Sterimol/B1: 2.35774  Sterimol/B2: 3.02092  Sterimol/B3: 4.85131
  Sterimol/B4: 5.56252  Sterimol/L: 13.2879 
 
 Surface and Volume Properties
  Accessible surface: 448.353  Positive charged surface: 326.239  Negative charged surface: 122.114  Volume: 217.875
  Hydrophobic surface: 262.94  Hydrophilic surface: 185.413
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.