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NCID-ZINC05851401

 MMsINC code: MMs02507967
Type: Neutral
Formula: C10H17NO7
SMILES:   O1C2ON3C(C2C(O)C(O)C1CO)C(O)C(O)C3
InChI:   InChI=1/C10H17NO7/c12-2-4-8(15)9(16)5-6-7(14)3(13)1-11(6)18-10(5)17-4/h3-10,12-16H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=99.0415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.246 g/mol  logS: 0.96043  SlogP: -3.6072  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0990997  Sterimol/B1: 2.54231  Sterimol/B2: 2.58055  Sterimol/B3: 3.67675
  Sterimol/B4: 6.06447  Sterimol/L: 12.6349 
 
 Surface and Volume Properties
  Accessible surface: 436.267  Positive charged surface: 326.604  Negative charged surface: 109.664  Volume: 218.75
  Hydrophobic surface: 188.715  Hydrophilic surface: 247.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.