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PHARMEK-ZINC01852827

 MMsINC code: MMs02623159
Type: Neutral
Formula: C18H15BrNO3P
SMILES:   Brc1ccc(NP(Oc2ccccc2)(Oc2ccccc2)=O)cc1
InChI:   InChI=1/C18H15BrNO3P/c19-15-11-13-16(14-12-15)20-24(21,22-17-7-3-1-4-8-17)23-18-9-5-2-6-10-18/h1-14H,(H,20,21)

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Potential Energy
Epot(MMFF94)=58.4913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.2 g/mol  logS: -5.62708  SlogP: 5.0569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122245  Sterimol/B1: 3.1261  Sterimol/B2: 3.94714  Sterimol/B3: 4.67116
  Sterimol/B4: 9.81402  Sterimol/L: 14.4065 
 
 Surface and Volume Properties
  Accessible surface: 591.152  Positive charged surface: 267.115  Negative charged surface: 324.037  Volume: 331.875
  Hydrophobic surface: 544.209  Hydrophilic surface: 46.943
 
 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.