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NCID-ZINC01653252

 MMsINC code: MMs02292312
Type: Neutral
Formula: C10H20O3
SMILES:   O(C(=O)CC(O)(CC(C)C)C)CC
InChI:   InChI=1/C10H20O3/c1-5-13-9(11)7-10(4,12)6-8(2)3/h8,12H,5-7H2,1-4H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=44.7888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.267 g/mol  logS: -1.89193  SlogP: 1.7367  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0843881  Sterimol/B1: 2.87679  Sterimol/B2: 2.91606  Sterimol/B3: 3.80148
  Sterimol/B4: 3.85649  Sterimol/L: 14.5758 
 
 Surface and Volume Properties
  Accessible surface: 430.037  Positive charged surface: 314.79  Negative charged surface: 115.247  Volume: 202.875
  Hydrophobic surface: 298.375  Hydrophilic surface: 131.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.