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PUBCHEM-ZINC06020556

 MMsINC code: MMs03495644
Type: Neutral
Formula: C18H35FO2
SMILES:   FCCCCCCCCCCCCCCC(CC(O)=O)C
InChI:   InChI=1/C18H35FO2/c1-17(16-18(20)21)14-12-10-8-6-4-2-3-5-7-9-11-13-15-19/h17H,2-16H2,1H3,(H,20,21)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=9.19532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.474 g/mol  logS: -6.57994  SlogP: 6.138  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0137807  Sterimol/B1: 2.12119  Sterimol/B2: 2.50409  Sterimol/B3: 3.50268
  Sterimol/B4: 4.42762  Sterimol/L: 25.875 
 
 Surface and Volume Properties
  Accessible surface: 685.532  Positive charged surface: 532.92  Negative charged surface: 152.612  Volume: 336.75
  Hydrophobic surface: 535.654  Hydrophilic surface: 149.878
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03495645
PUBCHEM-ZINC06020556