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PUBCHEM-ZINC03798257

 MMsINC code: MMs03076530
Type: Neutral
Formula: C24H34O7P2
SMILES:   P(OCC)(OCC)(=O)C(P(OCC)(OCC)=O)CC(C(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H34O7P2/c1-5-28-32(26,29-6-2)23(33(27,30-7-3)31-8-4)19-22(20-15-11-9-12-16-20)24(25)21-17-13-10-14-18-21/h9-18,22-23H,5-8,19H2,1-4H3/t22-/m0/s1

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Potential Energy
Epot(MMFF94)=60.1806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 496.477 g/mol  logS: -4.82674  SlogP: 4.7611  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182345  Sterimol/B1: 4.38924  Sterimol/B2: 5.82582  Sterimol/B3: 6.11669
  Sterimol/B4: 7.67237  Sterimol/L: 17.5168 
 
 Surface and Volume Properties
  Accessible surface: 760.311  Positive charged surface: 474.006  Negative charged surface: 286.305  Volume: 468.25
  Hydrophobic surface: 614.282  Hydrophilic surface: 146.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.