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FRINTON-ZINC01641352

 MMsINC code: MMs01727879
Type: Neutral
Formula: C10H14O2
SMILES:   o1cccc1C(=O)CCCCC
InChI:   InChI=1/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.22 g/mol  logS: -3.19615  SlogP: 3.0426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0253825  Sterimol/B1: 2.37573  Sterimol/B2: 2.3762  Sterimol/B3: 3.21666
  Sterimol/B4: 4.11393  Sterimol/L: 14.6547 
 
 Surface and Volume Properties
  Accessible surface: 399.533  Positive charged surface: 257.09  Negative charged surface: 142.443  Volume: 176.625
  Hydrophobic surface: 335.577  Hydrophilic surface: 63.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.