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PUBCHEM-ZINC06488153

 MMsINC code: MMs03762916
Type: Neutral
Formula: C19H27FO2
SMILES:   FC1CC2C3C(C4C(CC3C)=CC(=O)CC4)CCC2(C)C1O
InChI:   InChI=1/C19H27FO2/c1-10-7-11-8-12(21)3-4-13(11)14-5-6-19(2)15(17(10)14)9-16(20)18(19)22/h8,10,13-18,22H,3-7,9H2,1-2H3/t10-,13+,14-,15+,16+,17+,18+,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.421 g/mol  logS: -4.58599  SlogP: 4.103  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.175995  Sterimol/B1: 2.30043  Sterimol/B2: 3.25917  Sterimol/B3: 4.06427
  Sterimol/B4: 6.93697  Sterimol/L: 14.446 
 
 Surface and Volume Properties
  Accessible surface: 490.248  Positive charged surface: 334.326  Negative charged surface: 155.923  Volume: 303.5
  Hydrophobic surface: 339.248  Hydrophilic surface: 151
 
 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.