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PUBCHEM-ZINC05820598

 MMsINC code: MMs03399568
Type: Neutral
Formula: C11H20O2
SMILES:   O1C(CCCCCC)C(CC1=O)C
InChI:   InChI=1/C11H20O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.279 g/mol  logS: -3.02287  SlogP: 2.9084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0604209  Sterimol/B1: 2.64192  Sterimol/B2: 3.4791  Sterimol/B3: 3.90002
  Sterimol/B4: 4.38493  Sterimol/L: 14.4663 
 
 Surface and Volume Properties
  Accessible surface: 440.009  Positive charged surface: 324.535  Negative charged surface: 115.473  Volume: 205.625
  Hydrophobic surface: 333.818  Hydrophilic surface: 106.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.