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PUBCHEM-ZINC06499952

 MMsINC code: MMs03769405
Type: Neutral
Formula: C19H27FO2
SMILES:   FC1CC2C3C(CCC2(C)C1O)C1(C(=CC(=O)CC1)CC3)C
InChI:   InChI=1/C19H27FO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-17,22H,3-8,10H2,1-2H3/t13-,14+,15+,16-,17-,18-,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.421 g/mol  logS: -4.58599  SlogP: 4.2471  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.261291  Sterimol/B1: 2.36909  Sterimol/B2: 3.10781  Sterimol/B3: 5.5561
  Sterimol/B4: 5.64516  Sterimol/L: 12.4646 
 
 Surface and Volume Properties
  Accessible surface: 486.887  Positive charged surface: 323.856  Negative charged surface: 163.031  Volume: 301.5
  Hydrophobic surface: 337.487  Hydrophilic surface: 149.4
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 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.