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PUBCHEM-ZINC06031569

 MMsINC code: MMs03504141
Type: Neutral
Formula: C24H37FO5
SMILES:   FC1CC2C3CC(C)C(O)(C(=O)C)C3(CCC2C2(CCC(OC(=O)C)CC12O)C)C
InChI:   InChI=1/C24H37FO5/c1-13-10-19-17-11-20(25)23(28)12-16(30-15(3)27)6-8-21(23,4)18(17)7-9-22(19,5)24(13,29)14(2)26/h13,16-20,28-29H,6-12H2,1-5H3/t13-,16+,17-,18+,19+,20-,21-,22+,23+,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=170.165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.553 g/mol  logS: -3.77332  SlogP: 4.0097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0814979  Sterimol/B1: 2.41592  Sterimol/B2: 2.60428  Sterimol/B3: 4.76116
  Sterimol/B4: 6.74755  Sterimol/L: 18.4362 
 
 Surface and Volume Properties
  Accessible surface: 625.144  Positive charged surface: 420.022  Negative charged surface: 205.122  Volume: 404.75
  Hydrophobic surface: 451.019  Hydrophilic surface: 174.125
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 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.