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SIAL-ZINC04557062

 MMsINC code: MMs03922903
Type: Neutral
Formula: C19H38O2
SMILES:   OC(=O)CCCCCCCCCCCCCCCC(C)C
InChI:   InChI=1/C19H38O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=1.52599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.511 g/mol  logS: -8.03903  SlogP: 6.5785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.011596  Sterimol/B1: 2.31306  Sterimol/B2: 2.64255  Sterimol/B3: 3.34982
  Sterimol/B4: 4.16584  Sterimol/L: 26.8691 
 
 Surface and Volume Properties
  Accessible surface: 707.801  Positive charged surface: 572.808  Negative charged surface: 134.994  Volume: 355.125
  Hydrophobic surface: 565.266  Hydrophilic surface: 142.535
 
 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


MMs03922904
SIAL-ZINC04557062