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PUBCHEM-ZINC05997251

 MMsINC code: MMs03481242
Type: Neutral
Formula: C10H16O4
SMILES:   O(C(=O)C1CC(CCC1)C(OC)=O)C
InChI:   InChI=1/C10H16O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=29.4657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.234 g/mol  logS: -1.18921  SlogP: 1.1388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160362  Sterimol/B1: 2.93668  Sterimol/B2: 3.01988  Sterimol/B3: 3.90917
  Sterimol/B4: 5.16326  Sterimol/L: 12.9328 
 
 Surface and Volume Properties
  Accessible surface: 415.441  Positive charged surface: 338.445  Negative charged surface: 76.9952  Volume: 195.875
  Hydrophobic surface: 354.461  Hydrophilic surface: 60.98
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.