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PUBCHEM-ZINC06072466

 MMsINC code: MMs03525298
Type: Neutral
Formula: C16H32O2
SMILES:   OC(=O)CCCCCCCCCCCCCCC
InChI:   InChI=1/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=-6.30326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.43 g/mol  logS: -6.49337  SlogP: 5.5523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0128674  Sterimol/B1: 1.48563  Sterimol/B2: 1.61065  Sterimol/B3: 3.26561
  Sterimol/B4: 4.30911  Sterimol/L: 24.382 
 
 Surface and Volume Properties
  Accessible surface: 631.455  Positive charged surface: 499.294  Negative charged surface: 132.161  Volume: 299.25
  Hydrophobic surface: 509.446  Hydrophilic surface: 122.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03525299
PUBCHEM-ZINC06072466