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NCID-ZINC05411576

 MMsINC code: MMs02460275
Type: Neutral
Formula: C10H19NO8
SMILES:   O(C(=O)CNC(=O)C(O)C(O)C(O)C(O)CO)CC
InChI:   InChI=1/C10H19NO8/c1-2-19-6(14)3-11-10(18)9(17)8(16)7(15)5(13)4-12/h5,7-9,12-13,15-17H,2-4H2,1H3,(H,11,18)/t5-,7-,8+,9-/m1/s1

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Potential Energy
Epot(MMFF94)=91.2202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.261 g/mol  logS: 0.51421  SlogP: -3.8984  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0365222  Sterimol/B1: 2.81143  Sterimol/B2: 3.08689  Sterimol/B3: 3.67401
  Sterimol/B4: 5.49078  Sterimol/L: 17.2299 
 
 Surface and Volume Properties
  Accessible surface: 513.702  Positive charged surface: 358.414  Negative charged surface: 155.289  Volume: 245.125
  Hydrophobic surface: 226.603  Hydrophilic surface: 287.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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: 0
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Ions/Tautomers related molecules: no related molecules available.