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PUBCHEM-ZINC05997957

 MMsINC code: MMs03481990
Type: Neutral
Formula: C15H24O7
SMILES:   O1C(C(OC)COC)C(OC)C(OC1c1occc1)COC
InChI:   InChI=1/C15H24O7/c1-16-8-11(18-3)14-13(19-4)12(9-17-2)21-15(22-14)10-6-5-7-20-10/h5-7,11-15H,8-9H2,1-4H3/t11-,12+,13-,14-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=108.285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.35 g/mol  logS: -1.99542  SlogP: 1.4805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0977688  Sterimol/B1: 3.59543  Sterimol/B2: 4.0346  Sterimol/B3: 4.21549
  Sterimol/B4: 7.73502  Sterimol/L: 15.6609 
 
 Surface and Volume Properties
  Accessible surface: 563.836  Positive charged surface: 464.545  Negative charged surface: 99.2906  Volume: 300.25
  Hydrophobic surface: 523.235  Hydrophilic surface: 40.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.