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PUBCHEM-ZINC06268587

 MMsINC code: MMs03649401
Type: Neutral
Formula: C19H28F2O
SMILES:   FC1(F)CC2CCC3C4CCC(=O)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C19H28F2O/c1-17-9-10-19(20,21)11-12(17)3-4-13-14-5-6-16(22)18(14,2)8-7-15(13)17/h12-15H,3-11H2,1-2H3/t12-,13+,14-,15+,17+,18-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.544 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: 0.313785  Sterimol/B1: 2.03668  Sterimol/B2: 4.4831  Sterimol/B3: 4.60753
  Sterimol/B4: 6.96246  Sterimol/L: 12.4409 
 
 Surface and Volume Properties
  Accessible surface: 472.864  Positive charged surface: 300.019  Negative charged surface: 172.844  Volume: 301
  Hydrophobic surface: 344.158  Hydrophilic surface: 128.706
 
 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.