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NCID-ZINC01569437

 MMsINC code: MMs02230090
Type: Neutral
Formula: C26H24O2P2
SMILES:   P(=O)(CCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H24O2P2/c27-29(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-30(28,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2

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Potential Energy
Epot(MMFF94)=90.1912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.424 g/mol  logS: -5.90942  SlogP: 2.8742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134627  Sterimol/B1: 3.46581  Sterimol/B2: 4.16302  Sterimol/B3: 4.3918
  Sterimol/B4: 9.58121  Sterimol/L: 15.6929 
 
 Surface and Volume Properties
  Accessible surface: 722.461  Positive charged surface: 357.872  Negative charged surface: 364.589  Volume: 421.25
  Hydrophobic surface: 682.135  Hydrophilic surface: 40.326
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.