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PUBCHEM-ZINC05275906

 MMsINC code: MMs03230147
Type: Neutral
Formula: C19H28F2O
SMILES:   FC1(F)CC2(C(C1)C1C(CC2)C2(C(CC(=O)CC2)CC1)C)C
InChI:   InChI=1/C19H28F2O/c1-17-7-6-15-14(16(17)10-19(20,21)11-17)4-3-12-9-13(22)5-8-18(12,15)2/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.428 g/mol  logS: -6.07939  SlogP: 5.6534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.258779  Sterimol/B1: 2.88604  Sterimol/B2: 3.05697  Sterimol/B3: 5.48575
  Sterimol/B4: 5.61031  Sterimol/L: 13.0922 
 
 Surface and Volume Properties
  Accessible surface: 471.381  Positive charged surface: 304.879  Negative charged surface: 166.502  Volume: 298
  Hydrophobic surface: 341.912  Hydrophilic surface: 129.469
 
 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.