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PUBCHEM-ZINC04557092

 MMsINC code: MMs03133764
Type: Neutral
Formula: C17H34O2
SMILES:   O(C(=O)CCCCCCCCCCCCC(C)C)C
InChI:   InChI=1/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.7749 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.457 g/mol  logS: -6.9057  SlogP: 5.4966  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0141685  Sterimol/B1: 2.31585  Sterimol/B2: 2.6722  Sterimol/B3: 3.33099
  Sterimol/B4: 4.22772  Sterimol/L: 24.6025 
 
 Surface and Volume Properties
  Accessible surface: 649.842  Positive charged surface: 542.375  Negative charged surface: 107.467  Volume: 317.875
  Hydrophobic surface: 565.088  Hydrophilic surface: 84.754
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.