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SIAL-ZINC04823233

 MMsINC code: MMs03926013
Type: Neutral
Formula: C10H18O3
SMILES:   OC(=O)C(CCCCC(=O)CC)C
InChI:   InChI=1/C10H18O3/c1-3-9(11)7-5-4-6-8(2)10(12)13/h8H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=7.84619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.251 g/mol  logS: -1.01123  SlogP: 2.2466  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0402264  Sterimol/B1: 2.84523  Sterimol/B2: 3.11119  Sterimol/B3: 3.29098
  Sterimol/B4: 3.91845  Sterimol/L: 15.5948 
 
 Surface and Volume Properties
  Accessible surface: 432.339  Positive charged surface: 309.049  Negative charged surface: 123.29  Volume: 197.25
  Hydrophobic surface: 272.417  Hydrophilic surface: 159.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03926014
SIAL-ZINC04823233