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PUBCHEM-ZINC03471124

 MMsINC code: MMs03014920
Type: Neutral
Formula: C13H14NO3P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(=O)NC
InChI:   InChI=1/C13H14NO3P/c1-14-18(15,16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=31.6711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.233 g/mol  logS: -2.71283  SlogP: 2.4017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0502102  Sterimol/B1: 2.36782  Sterimol/B2: 2.82967  Sterimol/B3: 3.11026
  Sterimol/B4: 6.97939  Sterimol/L: 14.42 
 
 Surface and Volume Properties
  Accessible surface: 467.087  Positive charged surface: 267.858  Negative charged surface: 199.228  Volume: 245.125
  Hydrophobic surface: 408.265  Hydrophilic surface: 58.822
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.