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NCID-ZINC04743017

 MMsINC code: MMs02399346
Type: Neutral
Formula: C11H16O7
SMILES:   O1C(C(O)CO)C(O)C(OC1c1occc1)CO
InChI:   InChI=1/C11H16O7/c12-4-6(14)10-9(15)8(5-13)17-11(18-10)7-2-1-3-16-7/h1-3,6,8-15H,4-5H2/t6-,8-,9+,10+,11-/m1/s1

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Potential Energy
Epot(MMFF94)=83.6498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.242 g/mol  logS: -0.6147  SlogP: -1.1359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138994  Sterimol/B1: 3.10719  Sterimol/B2: 3.13158  Sterimol/B3: 3.35663
  Sterimol/B4: 8.2572  Sterimol/L: 12.4716 
 
 Surface and Volume Properties
  Accessible surface: 471.987  Positive charged surface: 319.845  Negative charged surface: 152.142  Volume: 226.25
  Hydrophobic surface: 294.602  Hydrophilic surface: 177.385
 
 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.