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CHEMBRIDGE-ZINC04956400

 MMsINC code: MMs00815316
Type: Neutral
Formula: C11H18O3
SMILES:   O1CCC(CC2CCCCC2O)C1=O
InChI:   InChI=1/C11H18O3/c12-10-4-2-1-3-8(10)7-9-5-6-14-11(9)13/h8-10,12H,1-7H2/t8-,9+,10+/m1/s1

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Potential Energy
Epot(MMFF94)=26.0591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.262 g/mol  logS: -1.45073  SlogP: 1.4907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128499  Sterimol/B1: 2.45375  Sterimol/B2: 3.26436  Sterimol/B3: 3.83405
  Sterimol/B4: 6.11402  Sterimol/L: 12.2733 
 
 Surface and Volume Properties
  Accessible surface: 400.236  Positive charged surface: 305.714  Negative charged surface: 94.5217  Volume: 199.25
  Hydrophobic surface: 301.358  Hydrophilic surface: 98.878
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.