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PUBCHEM-ZINC06499936

 MMsINC code: MMs03769389
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+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.028 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: 0.192  Sterimol/B1: 2.23188  Sterimol/B2: 2.90503  Sterimol/B3: 5.41976
  Sterimol/B4: 5.5664  Sterimol/L: 14.0664 
 
 Surface and Volume Properties
  Accessible surface: 484.727  Positive charged surface: 329.124  Negative charged surface: 155.603  Volume: 299.75
  Hydrophobic surface: 336.478  Hydrophilic surface: 148.249
 
 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.