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PUBCHEM-ZINC05734485

 MMsINC code: MMs03364820
Type: Neutral
Formula: C27H52O2
SMILES:   O=C1C(CCCCCCCCCC1(C)C)(CCCCCCCCCCCCO)C
InChI:   InChI=1/C27H52O2/c1-26(2)21-17-13-9-8-11-15-19-23-27(3,25(26)29)22-18-14-10-6-4-5-7-12-16-20-24-28/h28H,4-24H2,1-3H3/t27-/m0/s1

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Potential Energy
Epot(MMFF94)=116.932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.711 g/mol  logS: -8.84905  SlogP: 8.3959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0406757  Sterimol/B1: 2.18005  Sterimol/B2: 3.996  Sterimol/B3: 6.48646
  Sterimol/B4: 7.12306  Sterimol/L: 25.1016 
 
 Surface and Volume Properties
  Accessible surface: 781.009  Positive charged surface: 627.26  Negative charged surface: 153.749  Volume: 477
  Hydrophobic surface: 675.89  Hydrophilic surface: 105.119
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.