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PUBCHEM-ZINC06268678

 MMsINC code: MMs03649498
Type: Neutral
Formula: C19H26F2O2
SMILES:   FC1(F)C2=CCC3C4CCC(O)C4(CCC3C2(CCC1=O)C)C
InChI:   InChI=1/C19H26F2O2/c1-17-10-8-16(23)19(20,21)14(17)5-3-11-12-4-6-15(22)18(12,2)9-7-13(11)17/h5,11-13,15,22H,3-4,6-10H2,1-2H3/t11-,12+,13-,15+,17-,18+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.24 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.411 g/mol  logS: -4.33874  SlogP: 4.5443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164251  Sterimol/B1: 2.25268  Sterimol/B2: 3.87682  Sterimol/B3: 4.74896
  Sterimol/B4: 5.22545  Sterimol/L: 14.2726 
 
 Surface and Volume Properties
  Accessible surface: 487.939  Positive charged surface: 309.816  Negative charged surface: 178.124  Volume: 302
  Hydrophobic surface: 313.289  Hydrophilic surface: 174.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.