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ENAMINE-ZINC07026817

 MMsINC code: MMs01721075
Type: Neutral
Formula: C16H20F3N3O
SMILES:   FC(F)(F)c1ccccc1/C(=N\NC(=O)NC1CCCCC1)/C
InChI:   InChI=1/C16H20F3N3O/c1-11(13-9-5-6-10-14(13)16(17,18)19)21-22-15(23)20-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H2,20,22,23)/b21-11+

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Potential Energy
Epot(MMFF94)=63.6628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.35 g/mol  logS: -4.44532  SlogP: 4.3728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464135  Sterimol/B1: 2.18326  Sterimol/B2: 3.25632  Sterimol/B3: 3.58241
  Sterimol/B4: 7.41757  Sterimol/L: 16.0803 
 
 Surface and Volume Properties
  Accessible surface: 525.074  Positive charged surface: 311.045  Negative charged surface: 214.03  Volume: 293.125
  Hydrophobic surface: 404.608  Hydrophilic surface: 120.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.