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CHEMBRIDGE-ZINC02885204

 MMsINC code: MMs00735512
Type: Neutral
Formula: C19H18FN3O2
SMILES:   Fc1ccc(NC(=O)CCCc2onc(n2)-c2cc(ccc2)C)cc1
InChI:   InChI=1/C19H18FN3O2/c1-13-4-2-5-14(12-13)19-22-18(25-23-19)7-3-6-17(24)21-16-10-8-15(20)9-11-16/h2,4-5,8-12H,3,6-7H2,1H3,(H,21,24)

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Potential Energy
Epot(MMFF94)=81.5092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.37 g/mol  logS: -6.06778  SlogP: 4.14549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0479803  Sterimol/B1: 2.48345  Sterimol/B2: 3.38076  Sterimol/B3: 5.66592
  Sterimol/B4: 5.73929  Sterimol/L: 20.0946 
 
 Surface and Volume Properties
  Accessible surface: 627.171  Positive charged surface: 363.654  Negative charged surface: 263.517  Volume: 318.625
  Hydrophobic surface: 538.349  Hydrophilic surface: 88.822
 
 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.