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PUBCHEM-ZINC02555615

 MMsINC code: MMs02900405
Type: Neutral
Formula: C9H18O4
SMILES:   O(C(=O)CCCCC)CC(O)CO
InChI:   InChI=1/C9H18O4/c1-2-3-4-5-9(12)13-7-8(11)6-10/h8,10-11H,2-7H2,1H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=25.5372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.239 g/mol  logS: -1.34842  SlogP: 0.4631  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0315924  Sterimol/B1: 2.6777  Sterimol/B2: 2.98247  Sterimol/B3: 3.14297
  Sterimol/B4: 3.30866  Sterimol/L: 16.7574 
 
 Surface and Volume Properties
  Accessible surface: 447.06  Positive charged surface: 343.136  Negative charged surface: 103.924  Volume: 193.5
  Hydrophobic surface: 290.289  Hydrophilic surface: 156.771
 
 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: no related molecules available.