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CHEMSTAR-ZINC04013406

 MMsINC code: MMs01086225
Type: Neutral
Formula: C23H42O7P2
SMILES:   P(OCC)(OCC)(=O)C(P(OCC)(OCC)=O)c1cc(C(C)(C)C)c(O)c(c1)C(C)(C
)C
InChI:   InChI=1/C23H42O7P2/c1-11-27-31(25,28-12-2)21(32(26,29-13-3)30-14-4)17-15-18(22(5,6)7)20(24)19(16-17)23(8,9)10/h15-16,21,24H,11-14H2,1-10H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.9682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.53 g/mol  logS: -5.64  SlogP: 5.4731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.327863  Sterimol/B1: 5.40162  Sterimol/B2: 5.48519  Sterimol/B3: 6.4937
  Sterimol/B4: 9.86165  Sterimol/L: 14.756 
 
 Surface and Volume Properties
  Accessible surface: 784.204  Positive charged surface: 562.034  Negative charged surface: 222.17  Volume: 482.875
  Hydrophobic surface: 553.455  Hydrophilic surface: 230.749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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.