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NCID-ZINC05046269

 MMsINC code: MMs02431734
Type: Neutral
Formula: C19H21O4P
SMILES:   P(OCC)(OCC)(=O)\C(=C\c1ccccc1)\C(=O)c1ccccc1
InChI:   InChI=1/C19H21O4P/c1-3-22-24(21,23-4-2)18(15-16-11-7-5-8-12-16)19(20)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3/b18-15-

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Potential Energy
Epot(MMFF94)=93.2343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.347 g/mol  logS: -4.70432  SlogP: 4.1063  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.227399  Sterimol/B1: 2.15176  Sterimol/B2: 2.39636  Sterimol/B3: 6.6982
  Sterimol/B4: 10.5075  Sterimol/L: 14.2223 
 
 Surface and Volume Properties
  Accessible surface: 605.291  Positive charged surface: 360.26  Negative charged surface: 245.03  Volume: 332.25
  Hydrophobic surface: 515.133  Hydrophilic surface: 90.158
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.