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PHARMEK-ZINC01846371

 MMsINC code: MMs02623025
Type: Neutral
Formula: C18H15BrNO3P
SMILES:   Brc1cc(NP(Oc2ccccc2)(Oc2ccccc2)=O)ccc1
InChI:   InChI=1/C18H15BrNO3P/c19-15-8-7-9-16(14-15)20-24(21,22-17-10-3-1-4-11-17)23-18-12-5-2-6-13-18/h1-14H,(H,20,21)

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Potential Energy
Epot(MMFF94)=57.9654 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: 0.133965  Sterimol/B1: 3.15038  Sterimol/B2: 3.89186  Sterimol/B3: 6.11377
  Sterimol/B4: 8.40494  Sterimol/L: 14.4094 
 
 Surface and Volume Properties
  Accessible surface: 589.148  Positive charged surface: 265.769  Negative charged surface: 323.379  Volume: 330.875
  Hydrophobic surface: 542.619  Hydrophilic surface: 46.529
 
 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.