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NCID-ZINC04403661

 MMsINC code: MMs02384833
Type: Neutral
Formula: C18H26O12
SMILES:   O1C(C(OC(=O)C)COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC
InChI:   InChI=1/C18H26O12/c1-8(19)25-7-13(26-9(2)20)14-15(27-10(3)21)16(28-11(4)22)17(29-12(5)23)18(24-6)30-14/h13-18H,7H2,1-6H3/t13-,14-,15+,16+,17+,18-/m1/s1

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Potential Energy
Epot(MMFF94)=73.9669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.394 g/mol  logS: -1.98304  SlogP: -0.3524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.218601  Sterimol/B1: 4.11415  Sterimol/B2: 5.22433  Sterimol/B3: 5.907
  Sterimol/B4: 6.76835  Sterimol/L: 16.2766 
 
 Surface and Volume Properties
  Accessible surface: 695.011  Positive charged surface: 455.414  Negative charged surface: 239.597  Volume: 383.625
  Hydrophobic surface: 547.117  Hydrophilic surface: 147.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.