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ASINEX-ZINC05003798

 MMsINC code: MMs00433289
Type: Neutral
Formula: C17H32O2
SMILES:   O(C(CC1CCCCCCCCCCC1)C)C(=O)C
InChI:   InChI=1/C17H32O2/c1-15(19-16(2)18)14-17-12-10-8-6-4-3-5-7-9-11-13-17/h15,17H,3-14H2,1-2H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=187.238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.441 g/mol  logS: -6.42764  SlogP: 5.249  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221105  Sterimol/B1: 2.19441  Sterimol/B2: 4.08161  Sterimol/B3: 5.91322
  Sterimol/B4: 6.31685  Sterimol/L: 14.0132 
 
 Surface and Volume Properties
  Accessible surface: 510.472  Positive charged surface: 369.151  Negative charged surface: 141.321  Volume: 301.625
  Hydrophobic surface: 459.12  Hydrophilic surface: 51.352
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.