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PUBCHEM-ZINC06933048

 MMsINC code: MMs03906420
Type: Neutral
Formula: C19H29FO
SMILES:   FC1CC2=CCC3C4CCC(O)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C19H29FO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,21H,4-11H2,1-2H3/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)=120.003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.438 g/mol  logS: -4.14296  SlogP: 5.0681  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169689  Sterimol/B1: 2.12491  Sterimol/B2: 3.958  Sterimol/B3: 4.35585
  Sterimol/B4: 5.30344  Sterimol/L: 13.8486 
 
 Surface and Volume Properties
  Accessible surface: 481.168  Positive charged surface: 357.233  Negative charged surface: 123.934  Volume: 299.25
  Hydrophobic surface: 370.364  Hydrophilic surface: 110.804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.