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ACROSORGANICS-ZINC02039909

 MMsINC code: MMs00012665
Type: Neutral
Formula: C10H20O4
SMILES:   O(C(=O)C(CO)(C)C)CC(CO)(C)C
InChI:   InChI=1/C10H20O4/c1-9(2,5-11)7-14-8(13)10(3,4)6-12/h11-12H,5-7H2,1-4H3

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Potential Energy
Epot(MMFF94)=32.3546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.266 g/mol  logS: -0.4844  SlogP: 0.5666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132268  Sterimol/B1: 2.20455  Sterimol/B2: 2.37451  Sterimol/B3: 4.58584
  Sterimol/B4: 4.87472  Sterimol/L: 13.9686 
 
 Surface and Volume Properties
  Accessible surface: 436.631  Positive charged surface: 322.5  Negative charged surface: 114.131  Volume: 208.875
  Hydrophobic surface: 253.95  Hydrophilic surface: 182.681
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.