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NCID-ZINC01684237

 MMsINC code: MMs02317709
Type: Neutral
Formula: C13H12NO3P
SMILES:   P(O)(=O)(C(=O)Nc1ccccc1)c1ccccc1
InChI:   InChI=1/C13H12NO3P/c15-13(14-11-7-3-1-4-8-11)18(16,17)12-9-5-2-6-10-12/h1-10H,(H,14,15)(H,16,17)

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Potential Energy
Epot(MMFF94)=78.6535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.217 g/mol  logS: -2.88789  SlogP: 1.7442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949718  Sterimol/B1: 3.17715  Sterimol/B2: 3.64382  Sterimol/B3: 4.29011
  Sterimol/B4: 5.69863  Sterimol/L: 14.5964 
 
 Surface and Volume Properties
  Accessible surface: 473.461  Positive charged surface: 235.98  Negative charged surface: 237.48  Volume: 235.5
  Hydrophobic surface: 363.182  Hydrophilic surface: 110.279
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.