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NCID-ZINC05664658

 MMsINC code: MMs02485304
Type: Neutral
Formula: C11H14O8
SMILES:   O1C(CO)C(O)C(O)C(O)C1OC1=COC=CC1=O
InChI:   InChI=1/C11H14O8/c12-3-6-8(14)9(15)10(16)11(18-6)19-7-4-17-2-1-5(7)13/h1-2,4,6,8-12,14-16H,3H2/t6-,8+,9+,10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=95.7476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.225 g/mol  logS: -0.4054  SlogP: -2.2427  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0903189  Sterimol/B1: 2.88934  Sterimol/B2: 3.54807  Sterimol/B3: 4.46084
  Sterimol/B4: 5.89258  Sterimol/L: 12.4936 
 
 Surface and Volume Properties
  Accessible surface: 457.319  Positive charged surface: 286.435  Negative charged surface: 170.884  Volume: 225.75
  Hydrophobic surface: 237.164  Hydrophilic surface: 220.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  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.