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NCID-ZINC04831254

 MMsINC code: MMs02410926
Type: Neutral
Formula: C15H20O6
SMILES:   O1C2C(OC(OC2)c2ccccc2)C(OC)C(O)C1OC
InChI:   InChI=1/C15H20O6/c1-17-13-11(16)15(18-2)20-10-8-19-14(21-12(10)13)9-6-4-3-5-7-9/h3-7,10-16H,8H2,1-2H3/t10-,11+,12-,13-,14+,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.9216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.319 g/mol  logS: -1.92824  SlogP: 0.9433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191903  Sterimol/B1: 2.49518  Sterimol/B2: 3.48257  Sterimol/B3: 5.13238
  Sterimol/B4: 8.10338  Sterimol/L: 12.8538 
 
 Surface and Volume Properties
  Accessible surface: 505.361  Positive charged surface: 387.759  Negative charged surface: 117.602  Volume: 272.625
  Hydrophobic surface: 421.412  Hydrophilic surface: 83.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.