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PUBCHEM-ZINC05842622

 MMsINC code: MMs03411632
Type: Neutral
Formula: C10H20O3
SMILES:   O(C(=O)C(C(O)CC)CCC)CC
InChI:   InChI=1/C10H20O3/c1-4-7-8(9(11)5-2)10(12)13-6-3/h8-9,11H,4-7H2,1-3H3/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=25.6781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.267 g/mol  logS: -1.76649  SlogP: 1.7367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0793622  Sterimol/B1: 2.06536  Sterimol/B2: 2.7263  Sterimol/B3: 3.1165
  Sterimol/B4: 7.33487  Sterimol/L: 13.2293 
 
 Surface and Volume Properties
  Accessible surface: 434.917  Positive charged surface: 323.486  Negative charged surface: 111.431  Volume: 204.75
  Hydrophobic surface: 305.527  Hydrophilic surface: 129.39
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.