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PUBCHEM-ZINC06483289

 MMsINC code: MMs03759660
Type: Neutral
Formula: C14H24O4
SMILES:   O(C1CCCCC1C(O)=O)C1CCCCC1OC
InChI:   InChI=1/C14H24O4/c1-17-12-8-4-5-9-13(12)18-11-7-3-2-6-10(11)14(15)16/h10-13H,2-9H2,1H3,(H,15,16)/t10-,11+,12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=43.1061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -1.85343  SlogP: 2.604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162817  Sterimol/B1: 2.47604  Sterimol/B2: 2.50206  Sterimol/B3: 4.31385
  Sterimol/B4: 7.46388  Sterimol/L: 12.1711 
 
 Surface and Volume Properties
  Accessible surface: 470.292  Positive charged surface: 383.3  Negative charged surface: 86.9915  Volume: 259.5
  Hydrophobic surface: 398.674  Hydrophilic surface: 71.618
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03759661
PUBCHEM-ZINC06483289