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PUBCHEM-ZINC05933585

 MMsINC code: MMs03451486
Type: Neutral
Formula: C19H22O6P2
SMILES:   P1(OCC2(CO1)COP(OC2)(=O)Cc1ccccc1)(=O)Cc1ccccc1
InChI:   InChI=1/C19H22O6P2/c20-26(11-17-7-3-1-4-8-17)22-13-19(14-23-26)15-24-27(21,25-16-19)12-18-9-5-2-6-10-18/h1-10H,11-16H2/t19-,26-,27-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.3996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.327 g/mol  logS: -3.41659  SlogP: 3.2454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0743357  Sterimol/B1: 2.58005  Sterimol/B2: 3.65672  Sterimol/B3: 4.12222
  Sterimol/B4: 8.18325  Sterimol/L: 18.6552 
 
 Surface and Volume Properties
  Accessible surface: 637.166  Positive charged surface: 378.16  Negative charged surface: 259.006  Volume: 359.375
  Hydrophobic surface: 560.437  Hydrophilic surface: 76.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.