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PUBCHEM-ZINC06468571

 MMsINC code: MMs03750199
Type: Neutral
Formula: C19H28F2O
SMILES:   FC1(F)CC2C(C3CCCC13C)CCC1CC(=O)CCC12C
InChI:   InChI=1/C19H28F2O/c1-17-9-7-13(22)10-12(17)5-6-14-15-4-3-8-18(15,2)19(20,21)11-16(14)17/h12,14-16H,3-11H2,1-2H3/t12-,14+,15-,16+,17-,18+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.428 g/mol  logS: -5.45249  SlogP: 5.6534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170764  Sterimol/B1: 2.0783  Sterimol/B2: 3.97474  Sterimol/B3: 5.02219
  Sterimol/B4: 5.25942  Sterimol/L: 13.2056 
 
 Surface and Volume Properties
  Accessible surface: 477.021  Positive charged surface: 307.566  Negative charged surface: 169.455  Volume: 299.75
  Hydrophobic surface: 355.586  Hydrophilic surface: 121.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.