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PUBCHEM-ZINC06482556

 MMsINC code: MMs03758929
Type: Neutral
Formula: C15H24O4
SMILES:   OC1CCC(CC1C(OC)=O)C(=O)C1CCCCC1
InChI:   InChI=1/C15H24O4/c1-19-15(18)12-9-11(7-8-13(12)16)14(17)10-5-3-2-4-6-10/h10-13,16H,2-9H2,1H3/t11-,12-,13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.353 g/mol  logS: -2.24915  SlogP: 2.086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0712448  Sterimol/B1: 2.53089  Sterimol/B2: 3.52138  Sterimol/B3: 3.57899
  Sterimol/B4: 6.41628  Sterimol/L: 16.1234 
 
 Surface and Volume Properties
  Accessible surface: 512.029  Positive charged surface: 407.968  Negative charged surface: 104.06  Volume: 271.375
  Hydrophobic surface: 419  Hydrophilic surface: 93.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.