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PUBCHEM-ZINC05510194

 MMsINC code: MMs03291731
Type: Neutral
Formula: C10H18O2
SMILES:   O=C(C(=O)CCCC)CCCC
InChI:   InChI=1/C10H18O2/c1-3-5-7-9(11)10(12)8-6-4-2/h3-8H2,1-2H3

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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: 170.252 g/mol  logS: -2.73238  SlogP: 2.505  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0265507  Sterimol/B1: 2.37502  Sterimol/B2: 2.37579  Sterimol/B3: 2.94645
  Sterimol/B4: 3.56866  Sterimol/L: 16.0545 
 
 Surface and Volume Properties
  Accessible surface: 423.418  Positive charged surface: 310.001  Negative charged surface: 113.417  Volume: 191.625
  Hydrophobic surface: 316.913  Hydrophilic surface: 106.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.