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PUBCHEM-ZINC04557048

 MMsINC code: MMs03133749
Type: Neutral
Formula: C20H40O2
SMILES:   OC(=O)CCCCCCCCCCCCCCCCC(C)C
InChI:   InChI=1/C20H40O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=1.5381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.538 g/mol  logS: -8.55425  SlogP: 6.9686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104941  Sterimol/B1: 2.12443  Sterimol/B2: 2.49463  Sterimol/B3: 3.50958
  Sterimol/B4: 4.5042  Sterimol/L: 28.1277 
 
 Surface and Volume Properties
  Accessible surface: 737.175  Positive charged surface: 603.875  Negative charged surface: 133.299  Volume: 369.875
  Hydrophobic surface: 597.318  Hydrophilic surface: 139.857
 
 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


MMs03133750
PUBCHEM-ZINC04557048