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NCID-ZINC01688004

 MMsINC code: MMs02320624
Type: Neutral
Formula: C10H18O5
SMILES:   O(C(C)C)C(=O)C(O)CC(OC(C)C)=O
InChI:   InChI=1/C10H18O5/c1-6(2)14-9(12)5-8(11)10(13)15-7(3)4/h6-8,11H,5H2,1-4H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=24.747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.249 g/mol  logS: -1.3951  SlogP: 0.6406  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0866455  Sterimol/B1: 2.27755  Sterimol/B2: 3.78216  Sterimol/B3: 4.30505
  Sterimol/B4: 4.53916  Sterimol/L: 14.7795 
 
 Surface and Volume Properties
  Accessible surface: 471.894  Positive charged surface: 319.234  Negative charged surface: 152.66  Volume: 215.375
  Hydrophobic surface: 285.752  Hydrophilic surface: 186.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.