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PUBCHEM-ZINC04600152

 MMsINC code: MMs03140235
Type: Neutral
Formula: C15H32O2
SMILES:   OCCCCCCCCCCCCCCCO
InChI:   InChI=1/C15H32O2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h16-17H,1-15H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.80924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.419 g/mol  logS: -4.62952  SlogP: 4.0423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0136717  Sterimol/B1: 2.11446  Sterimol/B2: 2.37503  Sterimol/B3: 2.37598
  Sterimol/B4: 2.99863  Sterimol/L: 24.0996 
 
 Surface and Volume Properties
  Accessible surface: 608.009  Positive charged surface: 514.804  Negative charged surface: 93.2053  Volume: 293.625
  Hydrophobic surface: 499.364  Hydrophilic surface: 108.645
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.