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PUBCHEM-ZINC04820458

 MMsINC code: MMs03174946
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+/m0/s1

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Potential Energy
Epot(MMFF94)=81.8928 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: 0.0879326  Sterimol/B1: 2.14101  Sterimol/B2: 3.03544  Sterimol/B3: 4.75374
  Sterimol/B4: 6.71852  Sterimol/L: 14.0761 
 
 Surface and Volume Properties
  Accessible surface: 509.412  Positive charged surface: 350.626  Negative charged surface: 158.785  Volume: 254.25
  Hydrophobic surface: 237.685  Hydrophilic surface: 271.727
 
 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.