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ASINEX-ZINC05003801

 MMsINC code: MMs00433292
Type: Neutral
Formula: C16H30O2
SMILES:   O(C(C)C1CCCCCCCCCCC1)C(=O)C
InChI:   InChI=1/C16H30O2/c1-14(18-15(2)17)16-12-10-8-6-4-3-5-7-9-11-13-16/h14,16H,3-13H2,1-2H3/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=394.185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.414 g/mol  logS: -5.59897  SlogP: 4.8589  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.397062  Sterimol/B1: 3.43299  Sterimol/B2: 4.88914  Sterimol/B3: 5.11921
  Sterimol/B4: 5.13763  Sterimol/L: 12.2582 
 
 Surface and Volume Properties
  Accessible surface: 467.693  Positive charged surface: 344.88  Negative charged surface: 122.813  Volume: 273
  Hydrophobic surface: 432.889  Hydrophilic surface: 34.804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.