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PUBCHEM-ZINC05454752

 MMsINC code: MMs03274068
Type: Neutral
Formula: C13H26N2O5
SMILES:   OC(C(NC(=O)C1CC(N(O)C1(C)C)(C)C)CO)CO
InChI:   InChI=1/C13H26N2O5/c1-12(2)5-8(13(3,4)15(12)20)11(19)14-9(6-16)10(18)7-17/h8-10,16-18,20H,5-7H2,1-4H3,(H,14,19)/t8-,9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=89.4334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.36 g/mol  logS: -0.14175  SlogP: -0.915  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140125  Sterimol/B1: 2.30996  Sterimol/B2: 4.19241  Sterimol/B3: 5.0773
  Sterimol/B4: 5.38851  Sterimol/L: 13.8014 
 
 Surface and Volume Properties
  Accessible surface: 507.666  Positive charged surface: 367.698  Negative charged surface: 139.968  Volume: 281.75
  Hydrophobic surface: 258.775  Hydrophilic surface: 248.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.