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NCID-ZINC01863464

 MMsINC code: MMs02374545
Type: Neutral
Formula: C23H23O4P
SMILES:   P(OCc1ccccc1)(OCc1ccccc1)(=O)C(O)\C=C\c1ccccc1
InChI:   InChI=1/C23H23O4P/c24-23(17-16-20-10-4-1-5-11-20)28(25,26-18-21-12-6-2-7-13-21)27-19-22-14-8-3-9-15-22/h1-17,23-24H,18-19H2/b17-16+/t23-/m1/s1

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Potential Energy
Epot(MMFF94)=101.869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.407 g/mol  logS: -5.09909  SlogP: 5.1075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567469  Sterimol/B1: 3.17287  Sterimol/B2: 3.58716  Sterimol/B3: 3.93099
  Sterimol/B4: 10.4185  Sterimol/L: 18.7337 
 
 Surface and Volume Properties
  Accessible surface: 709.768  Positive charged surface: 380.174  Negative charged surface: 329.594  Volume: 383.5
  Hydrophobic surface: 621.698  Hydrophilic surface: 88.07
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.