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PUBCHEM-ZINC05842758

 MMsINC code: MMs03411707
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)=23.6329 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: 0.0898011  Sterimol/B1: 2.07096  Sterimol/B2: 3.05864  Sterimol/B3: 3.277
  Sterimol/B4: 7.31438  Sterimol/L: 13.2508 
 
 Surface and Volume Properties
  Accessible surface: 429.926  Positive charged surface: 318.021  Negative charged surface: 111.905  Volume: 203.25
  Hydrophobic surface: 304.687  Hydrophilic surface: 125.239
 
 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.