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ACROSORGANICS-ZINC02384792

 MMsINC code: MMs00013496
Type: Neutral
Formula: C11H22N2O4
SMILES:   O(C(C)(C)C)C(=O)NCCCCC(N)C(O)=O
InChI:   InChI=1/C11H22N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=26.6356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.307 g/mol  logS: -1.11407  SlogP: 1.0933  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433575  Sterimol/B1: 2.39137  Sterimol/B2: 2.85898  Sterimol/B3: 3.89464
  Sterimol/B4: 4.82059  Sterimol/L: 17.0879 
 
 Surface and Volume Properties
  Accessible surface: 515.989  Positive charged surface: 366.38  Negative charged surface: 149.609  Volume: 244.5
  Hydrophobic surface: 267.001  Hydrophilic surface: 248.988
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.