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PUBCHEM-ZINC06068002

 MMsINC code: MMs03520964
Type: Neutral
Formula: C18H27FO2
SMILES:   FC1CC2(C(C3C1C1C(CC(=O)CC1)CC3)CCC2O)C
InChI:   InChI=1/C18H27FO2/c1-18-9-15(19)17-12-5-3-11(20)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h10,12-17,21H,2-9H2,1H3/t10-,12-,13-,14-,15-,16-,17+,18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.7007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.41 g/mol  logS: -2.89951  SlogP: 3.9369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107651  Sterimol/B1: 1.969  Sterimol/B2: 3.49033  Sterimol/B3: 4.74851
  Sterimol/B4: 5.34648  Sterimol/L: 14.4805 
 
 Surface and Volume Properties
  Accessible surface: 485.213  Positive charged surface: 360.108  Negative charged surface: 125.104  Volume: 288.875
  Hydrophobic surface: 369.696  Hydrophilic surface: 115.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.