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PUBCHEM-ZINC04820457

 MMsINC code: MMs03174945
Type: Neutral
Formula: C11H21NO7
SMILES:   O(C(C)(C)C)C(=O)NC(C(O)C(O)C(O)CO)C=O
InChI:   InChI=1/C11H21NO7/c1-11(2,3)19-10(18)12-6(4-13)8(16)9(17)7(15)5-14/h4,6-9,14-17H,5H2,1-3H3,(H,12,18)/t6-,7-,8+,9-/m1/s1

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Potential Energy
Epot(MMFF94)=80.2459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.289 g/mol  logS: -0.04395  SlogP: -1.8464  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.103921  Sterimol/B1: 3.55063  Sterimol/B2: 3.57362  Sterimol/B3: 4.79964
  Sterimol/B4: 4.84958  Sterimol/L: 14.1939 
 
 Surface and Volume Properties
  Accessible surface: 509.865  Positive charged surface: 350.431  Negative charged surface: 159.434  Volume: 256.25
  Hydrophobic surface: 231.47  Hydrophilic surface: 278.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.