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NCID-ZINC05759641

 MMsINC code: MMs02495573
Type: Neutral
Formula: C20H34O8
SMILES:   O(C(=O)C(CC(CC(C(OC)=O)C)(C(OC)=O)C)(CC(C(OC)=O)(C)C)C)C
InChI:   InChI=1/C20H34O8/c1-13(14(21)25-6)10-19(4,16(23)27-8)12-20(5,17(24)28-9)11-18(2,3)15(22)26-7/h13H,10-12H2,1-9H3/t13-,19+,20+/m0/s1

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Potential Energy
Epot(MMFF94)=227.196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.484 g/mol  logS: -2.11418  SlogP: 2.5236  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105537  Sterimol/B1: 2.75846  Sterimol/B2: 4.44334  Sterimol/B3: 4.74186
  Sterimol/B4: 7.583  Sterimol/L: 17.4448 
 
 Surface and Volume Properties
  Accessible surface: 626.352  Positive charged surface: 499.24  Negative charged surface: 127.111  Volume: 382.875
  Hydrophobic surface: 498.472  Hydrophilic surface: 127.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.