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NCID-ZINC04886927

 MMsINC code: MMs02412342
Type: Neutral
Formula: C13H22O6
SMILES:   O1CCCC1COC(=O)C(OC(OCCCC)=O)C
InChI:   InChI=1/C13H22O6/c1-3-4-7-17-13(15)19-10(2)12(14)18-9-11-6-5-8-16-11/h10-11H,3-9H2,1-2H3/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=32.3746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.313 g/mol  logS: -2.55013  SlogP: 2.0504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0206654  Sterimol/B1: 2.767  Sterimol/B2: 2.80796  Sterimol/B3: 3.25809
  Sterimol/B4: 4.88483  Sterimol/L: 20.2348 
 
 Surface and Volume Properties
  Accessible surface: 568.806  Positive charged surface: 423.917  Negative charged surface: 144.889  Volume: 268.125
  Hydrophobic surface: 429.58  Hydrophilic surface: 139.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.