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PUBCHEM-ZINC00347920

 MMsINC code: MMs02660743
Type: Neutral
Formula: C11H20O2
SMILES:   OC1(CC(CCC1=O)C(C)(C)C)C
InChI:   InChI=1/C11H20O2/c1-10(2,3)8-5-6-9(12)11(4,13)7-8/h8,13H,5-7H2,1-4H3/t8-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=57.8555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.279 g/mol  logS: -2.74351  SlogP: 2.1527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.268174  Sterimol/B1: 2.38394  Sterimol/B2: 2.73811  Sterimol/B3: 4.65495
  Sterimol/B4: 5.43256  Sterimol/L: 10.2665 
 
 Surface and Volume Properties
  Accessible surface: 378.828  Positive charged surface: 248.671  Negative charged surface: 130.158  Volume: 198.875
  Hydrophobic surface: 235.798  Hydrophilic surface: 143.03
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.