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PUBCHEM-ZINC04521611

 MMsINC code: MMs03127854
Type: Neutral
Formula: C18H38O
SMILES:   OCCCCCCCCCCCCCCCC(C)C
InChI:   InChI=1/C18H38O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3-17H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.57991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.501 g/mol  logS: -7.64528  SlogP: 6.0961  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0129286  Sterimol/B1: 2.12027  Sterimol/B2: 2.51556  Sterimol/B3: 3.45992
  Sterimol/B4: 4.4328  Sterimol/L: 25.6618 
 
 Surface and Volume Properties
  Accessible surface: 675.055  Positive charged surface: 577.382  Negative charged surface: 97.6734  Volume: 335.125
  Hydrophobic surface: 581.448  Hydrophilic surface: 93.607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.