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NCID-ZINC00640764

 MMsINC code: MMs02217656
Type: Neutral
Formula: C19H30O7
SMILES:   O=C1CCCCCCCC(C(OC)=O)C1(CCC(OCC)=O)C(OC)=O
InChI:   InChI=1/C19H30O7/c1-4-26-16(21)12-13-19(18(23)25-3)14(17(22)24-2)10-8-6-5-7-9-11-15(19)20/h14H,4-13H2,1-3H3/t14-,19-/m1/s1

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Potential Energy
Epot(MMFF94)=205.294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.442 g/mol  logS: -3.44  SlogP: 2.5917  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.152287  Sterimol/B1: 4.24723  Sterimol/B2: 4.97708  Sterimol/B3: 5.13541
  Sterimol/B4: 6.93415  Sterimol/L: 16.3419 
 
 Surface and Volume Properties
  Accessible surface: 589.687  Positive charged surface: 449.004  Negative charged surface: 140.682  Volume: 352.125
  Hydrophobic surface: 488.56  Hydrophilic surface: 101.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.