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PUBCHEM-ZINC03778181

 MMsINC code: MMs03075781
Type: Neutral
Formula: C19H27FO
SMILES:   FC1CC2C3C(CCC2(C)C1=O)C1(C(CCCC1)=CC3)C
InChI:   InChI=1/C19H27FO/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h6,13-16H,3-5,7-11H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.422 g/mol  logS: -5.6108  SlogP: 5.2763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13669  Sterimol/B1: 2.1649  Sterimol/B2: 3.2859  Sterimol/B3: 4.76439
  Sterimol/B4: 5.62154  Sterimol/L: 13.5743 
 
 Surface and Volume Properties
  Accessible surface: 480.039  Positive charged surface: 322.484  Negative charged surface: 157.555  Volume: 292.875
  Hydrophobic surface: 360.931  Hydrophilic surface: 119.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.