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PUBCHEM-ZINC06412137

 MMsINC code: MMs03715339
Type: Neutral
Formula: C23H33FO2
SMILES:   FCC(=O)C1C2(C(CC1CC)C1C(CC2)C2(C(=CC(=O)CC2)CC1)C)C
InChI:   InChI=1/C23H33FO2/c1-4-14-11-19-17-6-5-15-12-16(25)7-9-22(15,2)18(17)8-10-23(19,3)21(14)20(26)13-24/h12,14,17-19,21H,4-11,13H2,1-3H3/t14-,17-,18-,19-,21+,22+,23+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=158.477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.513 g/mol  logS: -7.36237  SlogP: 5.3092  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.286062  Sterimol/B1: 2.2184  Sterimol/B2: 4.31564  Sterimol/B3: 5.13054
  Sterimol/B4: 7.26047  Sterimol/L: 13.722 
 
 Surface and Volume Properties
  Accessible surface: 555.82  Positive charged surface: 372.38  Negative charged surface: 183.439  Volume: 359.625
  Hydrophobic surface: 399.06  Hydrophilic surface: 156.76
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.