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PUBCHEM-ZINC00399772

 MMsINC code: MMs02675279
Type: Neutral
Formula: C11H20O2
SMILES:   O(C(=O)C(CC)C1CCCCC1)C
InChI:   InChI=1/C11H20O2/c1-3-10(11(12)13-2)9-7-5-4-6-8-9/h9-10H,3-8H2,1-2H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=31.8904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.279 g/mol  logS: -3.39889  SlogP: 2.7659  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0906816  Sterimol/B1: 2.39916  Sterimol/B2: 2.74781  Sterimol/B3: 3.34557
  Sterimol/B4: 6.27174  Sterimol/L: 12.3573 
 
 Surface and Volume Properties
  Accessible surface: 406.203  Positive charged surface: 332.461  Negative charged surface: 73.7418  Volume: 202.75
  Hydrophobic surface: 362.241  Hydrophilic surface: 43.962
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.