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PUBCHEM-ZINC05276425

 MMsINC code: MMs03230408
Type: Neutral
Formula: C19H28F2O
SMILES:   FC1(F)C2CCCCC2(C2C(C3CCC(=O)C3(CC2)C)C1)C
InChI:   InChI=1/C19H28F2O/c1-17-9-4-3-5-15(17)19(20,21)11-12-13-6-7-16(22)18(13,2)10-8-14(12)17/h12-15H,3-11H2,1-2H3/t12-,13+,14-,15-,17+,18+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.428 g/mol  logS: -5.13904  SlogP: 5.6534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162768  Sterimol/B1: 1.97406  Sterimol/B2: 4.01734  Sterimol/B3: 5.14461
  Sterimol/B4: 5.52729  Sterimol/L: 13.4261 
 
 Surface and Volume Properties
  Accessible surface: 478.447  Positive charged surface: 315.664  Negative charged surface: 162.783  Volume: 300.75
  Hydrophobic surface: 362.887  Hydrophilic surface: 115.56
 
 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.