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NCID-ZINC01594736

 MMsINC code: MMs02249051
Type: Neutral
Formula: C20H20NO3P
SMILES:   P(OCc1ccccc1)(OCc1ccccc1)(=O)Nc1ccccc1
InChI:   InChI=1/C20H20NO3P/c22-25(21-20-14-8-3-9-15-20,23-16-18-10-4-1-5-11-18)24-17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,21,22)

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Potential Energy
Epot(MMFF94)=31.3868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.358 g/mol  logS: -4.66833  SlogP: 5.1028  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181348  Sterimol/B1: 2.6006  Sterimol/B2: 3.46984  Sterimol/B3: 6.30589
  Sterimol/B4: 8.9621  Sterimol/L: 15.3055 
 
 Surface and Volume Properties
  Accessible surface: 631.515  Positive charged surface: 358.836  Negative charged surface: 272.679  Volume: 341.875
  Hydrophobic surface: 566.074  Hydrophilic surface: 65.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.