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ENAMINE-ZINC05169934

 MMsINC code: MMs01594677
Type: Neutral
Formula: C19H18FN5O2
SMILES:   Fc1ccc(cc1)-c1nn(nn1)CC(=O)c1ccc(NC(=O)CCC)cc1
InChI:   InChI=1/C19H18FN5O2/c1-2-3-18(27)21-16-10-6-13(7-11-16)17(26)12-25-23-19(22-24-25)14-4-8-15(20)9-5-14/h4-11H,2-3,12H2,1H3,(H,21,27)

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Potential Energy
Epot(MMFF94)=82.3911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.384 g/mol  logS: -5.2358  SlogP: 3.3671  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.028398  Sterimol/B1: 2.78845  Sterimol/B2: 3.56212  Sterimol/B3: 4.12785
  Sterimol/B4: 4.95016  Sterimol/L: 22.7916 
 
 Surface and Volume Properties
  Accessible surface: 652.495  Positive charged surface: 367.662  Negative charged surface: 284.833  Volume: 338.125
  Hydrophobic surface: 491.943  Hydrophilic surface: 160.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.