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NCID-ZINC01717457

 MMsINC code: MMs02342888
Type: Neutral
Formula: C24H25O3P
SMILES:   P(OCC)(OCC)(=O)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H25O3P/c1-3-26-28(25,27-4-2)24(22-18-12-7-13-19-22)23(20-14-8-5-9-15-20)21-16-10-6-11-17-21/h5-19H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=86.3888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.435 g/mol  logS: -6.15046  SlogP: 5.61639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1903  Sterimol/B1: 2.46848  Sterimol/B2: 5.24816  Sterimol/B3: 6.07718
  Sterimol/B4: 7.61873  Sterimol/L: 14.1433 
 
 Surface and Volume Properties
  Accessible surface: 641.446  Positive charged surface: 416.811  Negative charged surface: 224.635  Volume: 394.25
  Hydrophobic surface: 579.96  Hydrophilic surface: 61.486
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.