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NCID-ZINC05464892

 MMsINC code: MMs02464864
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)=94.749 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: 0.128987  Sterimol/B1: 3.14254  Sterimol/B2: 3.65887  Sterimol/B3: 4.17924
  Sterimol/B4: 5.27435  Sterimol/L: 12.8695 
 
 Surface and Volume Properties
  Accessible surface: 448.921  Positive charged surface: 367.742  Negative charged surface: 81.1788  Volume: 223.75
  Hydrophobic surface: 264.485  Hydrophilic surface: 184.436
 
 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.