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CHEMDIV-ZINC06781738

 MMsINC code: MMs01021981
Type: Neutral
Formula: C20H20FN3O2
SMILES:   Fc1ccccc1N1CCN(CC1)C(=O)Cc1noc2c1cc(cc2)C
InChI:   InChI=1/C20H20FN3O2/c1-14-6-7-19-15(12-14)17(22-26-19)13-20(25)24-10-8-23(9-11-24)18-5-3-2-4-16(18)21/h2-7,12H,8-11,13H2,1H3

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Potential Energy
Epot(MMFF94)=142.146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.397 g/mol  logS: -4.77193  SlogP: 3.16659  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521503  Sterimol/B1: 1.99708  Sterimol/B2: 3.36121  Sterimol/B3: 3.95559
  Sterimol/B4: 7.90414  Sterimol/L: 17.7534 
 
 Surface and Volume Properties
  Accessible surface: 609.612  Positive charged surface: 367.527  Negative charged surface: 238.146  Volume: 333.375
  Hydrophobic surface: 547.763  Hydrophilic surface: 61.849
 
 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.