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ASINEX-ZINC02591022

 MMsINC code: MMs00275514
Type: Neutral
Formula: C19H18NO3P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(=O)Nc1ccc(cc1)C
InChI:   InChI=1/C19H18NO3P/c1-16-12-14-17(15-13-16)20-24(21,22-18-8-4-2-5-9-18)23-19-10-6-3-7-11-19/h2-15H,1H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=61.0583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.331 g/mol  logS: -5.01061  SlogP: 4.60282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13054  Sterimol/B1: 2.32377  Sterimol/B2: 3.12564  Sterimol/B3: 4.60064
  Sterimol/B4: 11.8953  Sterimol/L: 13.4183 
 
 Surface and Volume Properties
  Accessible surface: 582.145  Positive charged surface: 322.887  Negative charged surface: 259.258  Volume: 322.875
  Hydrophobic surface: 535.921  Hydrophilic surface: 46.224
 
 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.