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BACHEM-ZINC02560766

 MMsINC code: MMs00483881
Type: Neutral
Formula: C11H22N2O4
SMILES:   O(C(C)(C)C)C(=O)NCCCC(N)C(OC)=O
InChI:   InChI=1/C11H22N2O4/c1-11(2,3)17-10(15)13-7-5-6-8(12)9(14)16-4/h8H,5-7,12H2,1-4H3,(H,13,15)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=35.0104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.307 g/mol  logS: -1.32463  SlogP: 0.7916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431113  Sterimol/B1: 2.35243  Sterimol/B2: 2.81623  Sterimol/B3: 3.90191
  Sterimol/B4: 5.77701  Sterimol/L: 17.3432 
 
 Surface and Volume Properties
  Accessible surface: 521.706  Positive charged surface: 394.743  Negative charged surface: 126.963  Volume: 247.5
  Hydrophobic surface: 328.892  Hydrophilic surface: 192.814
 
 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.