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PUBCHEM-ZINC05353674

 MMsINC code: MMs03246202
Type: Neutral
Formula: C11H22N2O4
SMILES:   O(C(C)(C)C)C(=O)C(N)CCCC(N)C(O)=O
InChI:   InChI=1/C11H22N2O4/c1-11(2,3)17-10(16)8(13)6-4-5-7(12)9(14)15/h7-8H,4-6,12-13H2,1-3H3,(H,14,15)/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=63.8576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.307 g/mol  logS: -0.96421  SlogP: 0.2376  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0629427  Sterimol/B1: 2.03376  Sterimol/B2: 3.41465  Sterimol/B3: 4.80218
  Sterimol/B4: 5.44162  Sterimol/L: 15.0335 
 
 Surface and Volume Properties
  Accessible surface: 505.218  Positive charged surface: 355.1  Negative charged surface: 150.118  Volume: 244.75
  Hydrophobic surface: 235.589  Hydrophilic surface: 269.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.