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PEAKDALE-ZINC01497483

 MMsINC code: MMs02610472
Type: Neutral
Formula: C17H13FN2O
SMILES:   Fc1ccc(cc1)-c1cnc(Oc2cc(ccc2)C)nc1
InChI:   InChI=1/C17H13FN2O/c1-12-3-2-4-16(9-12)21-17-19-10-14(11-20-17)13-5-7-15(18)8-6-13/h2-11H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.9983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.302 g/mol  logS: -5.86747  SlogP: 4.38342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.061988  Sterimol/B1: 2.33629  Sterimol/B2: 2.53313  Sterimol/B3: 5.00916
  Sterimol/B4: 6.03746  Sterimol/L: 15.8829 
 
 Surface and Volume Properties
  Accessible surface: 515.31  Positive charged surface: 285.36  Negative charged surface: 219.729  Volume: 266.375
  Hydrophobic surface: 486.576  Hydrophilic surface: 28.734
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.