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PUBCHEM-ZINC06482415

 MMsINC code: MMs03758758
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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Potential Energy
Epot(MMFF94)=42.9291 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: 0.121965  Sterimol/B1: 2.46536  Sterimol/B2: 3.33169  Sterimol/B3: 4.19968
  Sterimol/B4: 6.11704  Sterimol/L: 15.1456 
 
 Surface and Volume Properties
  Accessible surface: 500.757  Positive charged surface: 393.922  Negative charged surface: 106.835  Volume: 266.875
  Hydrophobic surface: 418.306  Hydrophilic surface: 82.451
 
 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.