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PUBCHEM-ZINC04533081

 MMsINC code: MMs03130553
Type: Neutral
Formula: C10H21NO6
SMILES:   OC(C(O)C(O)CO)C(O)C(=O)NCCCC
InChI:   InChI=1/C10H21NO6/c1-2-3-4-11-10(17)9(16)8(15)7(14)6(13)5-12/h6-9,12-16H,2-5H2,1H3,(H,11,17)/t6-,7-,8+,9+/m1/s1

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Potential Energy
Epot(MMFF94)=67.0108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.279 g/mol  logS: 0.20539  SlogP: -2.6614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547899  Sterimol/B1: 2.39375  Sterimol/B2: 3.50541  Sterimol/B3: 3.58314
  Sterimol/B4: 6.15414  Sterimol/L: 16.2346 
 
 Surface and Volume Properties
  Accessible surface: 494.032  Positive charged surface: 356.903  Negative charged surface: 137.13  Volume: 234.5
  Hydrophobic surface: 243.648  Hydrophilic surface: 250.384
 
 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.