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PUBCHEM-ZINC05452796

 MMsINC code: MMs03273380
Type: Neutral
Formula: C17H36O2
SMILES:   OC(CCCCCCCCCCCCC(C)C)CO
InChI:   InChI=1/C17H36O2/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-17(19)15-18/h16-19H,3-15H2,1-2H3/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.0475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.473 g/mol  logS: -6.4123  SlogP: 4.6768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0150786  Sterimol/B1: 2.09037  Sterimol/B2: 2.55819  Sterimol/B3: 3.29715
  Sterimol/B4: 4.80232  Sterimol/L: 24.3858 
 
 Surface and Volume Properties
  Accessible surface: 653.204  Positive charged surface: 544.814  Negative charged surface: 108.389  Volume: 326
  Hydrophobic surface: 517.952  Hydrophilic surface: 135.252
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.