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NCID-ZINC05464895

 MMsINC code: MMs02464865
Type: Neutral
Formula: C10H18O7
SMILES:   O(C)C1C(O)C(O)C(O)CC1(O)C(OCC)=O
InChI:   InChI=1/C10H18O7/c1-3-17-9(14)10(15)4-5(11)6(12)7(13)8(10)16-2/h5-8,11-13,15H,3-4H2,1-2H3/t5-,6+,7+,8+,10-/m1/s1

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Potential Energy
Epot(MMFF94)=85.6632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.247 g/mol  logS: -0.00901  SlogP: -2.218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111741  Sterimol/B1: 3.1733  Sterimol/B2: 3.53012  Sterimol/B3: 3.84203
  Sterimol/B4: 6.56601  Sterimol/L: 13.2557 
 
 Surface and Volume Properties
  Accessible surface: 449.929  Positive charged surface: 348.132  Negative charged surface: 101.797  Volume: 222.75
  Hydrophobic surface: 259.189  Hydrophilic surface: 190.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.