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PUBCHEM-ZINC05511711

 MMsINC code: MMs03292342
Type: Neutral
Formula: C12H25NO6
SMILES:   OC(C(O)C(O)CO)C(O)C(=O)NCCCCCC
InChI:   InChI=1/C12H25NO6/c1-2-3-4-5-6-13-12(19)11(18)10(17)9(16)8(15)7-14/h8-11,14-18H,2-7H2,1H3,(H,13,19)/t8-,9-,10+,11-/m1/s1

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Potential Energy
Epot(MMFF94)=73.9463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.333 g/mol  logS: -0.82505  SlogP: -1.8812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311868  Sterimol/B1: 2.7094  Sterimol/B2: 3.15101  Sterimol/B3: 3.32717
  Sterimol/B4: 6.07577  Sterimol/L: 18.7084 
 
 Surface and Volume Properties
  Accessible surface: 556.118  Positive charged surface: 413.865  Negative charged surface: 142.253  Volume: 272.125
  Hydrophobic surface: 312.445  Hydrophilic surface: 243.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.