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PUBCHEM-ZINC05758404

 MMsINC code: MMs03372916
Type: Neutral
Formula: C21H29O3P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(=O)CCCCCCC(C)C
InChI:   InChI=1/C21H29O3P/c1-19(2)13-7-3-4-12-18-25(22,23-20-14-8-5-9-15-20)24-21-16-10-6-11-17-21/h5-6,8-11,14-17,19H,3-4,7,12-13,18H2,1-2H3

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Potential Energy
Epot(MMFF94)=58.8619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.434 g/mol  logS: -6.63584  SlogP: 5.8738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469264  Sterimol/B1: 3.30277  Sterimol/B2: 3.99992  Sterimol/B3: 4.52066
  Sterimol/B4: 8.13059  Sterimol/L: 18.6843 
 
 Surface and Volume Properties
  Accessible surface: 686.15  Positive charged surface: 454.278  Negative charged surface: 231.872  Volume: 372.625
  Hydrophobic surface: 621.71  Hydrophilic surface: 64.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.