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PUBCHEM-ZINC05821895

 MMsINC code: MMs03400911
Type: Neutral
Formula: C10H18O2
SMILES:   O=C1CCCC1C(O)CCCC
InChI:   InChI=1/C10H18O2/c1-2-3-6-9(11)8-5-4-7-10(8)12/h8-9,11H,2-7H2,1H3/t8-,9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.8262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.252 g/mol  logS: -1.46955  SlogP: 1.9067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0826103  Sterimol/B1: 3.06351  Sterimol/B2: 3.38737  Sterimol/B3: 3.51138
  Sterimol/B4: 3.83823  Sterimol/L: 13.1734 
 
 Surface and Volume Properties
  Accessible surface: 391.6  Positive charged surface: 289.425  Negative charged surface: 102.175  Volume: 186.125
  Hydrophobic surface: 307.455  Hydrophilic surface: 84.145
 
 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.