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BACHEM-ZINC02555028

 MMsINC code: MMs00483614
Type: Neutral
Formula: C11H22N2O4
SMILES:   O(C(C)(C)C)C(=O)NC(CCCCN)C(O)=O
InChI:   InChI=1/C11H22N2O4/c1-11(2,3)17-10(16)13-8(9(14)15)6-4-5-7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=20.4387 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: 0.0689982  Sterimol/B1: 2.135  Sterimol/B2: 2.70599  Sterimol/B3: 4.73246
  Sterimol/B4: 7.73249  Sterimol/L: 14.5902 
 
 Surface and Volume Properties
  Accessible surface: 514.328  Positive charged surface: 376.428  Negative charged surface: 137.901  Volume: 245.375
  Hydrophobic surface: 271.789  Hydrophilic surface: 242.539
 
 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.