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NCID-ZINC05411580

 MMsINC code: MMs02460276
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)=85.2545 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: 0.0457214  Sterimol/B1: 3.1934  Sterimol/B2: 3.29789  Sterimol/B3: 3.7867
  Sterimol/B4: 5.72034  Sterimol/L: 16.8901 
 
 Surface and Volume Properties
  Accessible surface: 515.193  Positive charged surface: 360.768  Negative charged surface: 154.425  Volume: 244.25
  Hydrophobic surface: 222.117  Hydrophilic surface: 293.076
 
 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.