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PUBCHEM-ZINC05764420

 MMsINC code: MMs03377922
Type: Neutral
Formula: C18H23FO3
SMILES:   Fc1c2CCC3C4CCC(O)C4(CCC3c2cc(O)c1O)C
InChI:   InChI=1/C18H23FO3/c1-18-7-6-9-10(13(18)4-5-15(18)21)2-3-11-12(9)8-14(20)17(22)16(11)19/h8-10,13,15,20-22H,2-7H2,1H3/t9-,10+,13-,15-,18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.377 g/mol  logS: -3.83797  SlogP: 3.45387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0886854  Sterimol/B1: 1.969  Sterimol/B2: 3.61868  Sterimol/B3: 4.77469
  Sterimol/B4: 5.27176  Sterimol/L: 14.5867 
 
 Surface and Volume Properties
  Accessible surface: 494.863  Positive charged surface: 350.97  Negative charged surface: 143.893  Volume: 284.625
  Hydrophobic surface: 343.974  Hydrophilic surface: 150.889
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.