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PUBCHEM-ZINC06068890

 MMsINC code: MMs03521792
Type: Neutral
Formula: C24H40O2
SMILES:   O1c2c(CCC1(CCCC(CCCC(C)C)C)C)c(C)c(O)c(C)c2C
InChI:   InChI=1/C24H40O2/c1-16(2)10-8-11-17(3)12-9-14-24(7)15-13-21-20(6)22(25)18(4)19(5)23(21)26-24/h16-17,25H,8-15H2,1-7H3/t17-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.4235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.582 g/mol  logS: -7.43353  SlogP: 7.03383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.038793  Sterimol/B1: 2.01005  Sterimol/B2: 3.36455  Sterimol/B3: 3.53223
  Sterimol/B4: 8.45968  Sterimol/L: 20.7014 
 
 Surface and Volume Properties
  Accessible surface: 701.307  Positive charged surface: 514.539  Negative charged surface: 186.769  Volume: 407.125
  Hydrophobic surface: 588.596  Hydrophilic surface: 112.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.