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PUBCHEM-ZINC02784738

 MMsINC code: MMs02925570
Type: Neutral
Formula: C15H17F2N3
SMILES:   FC(F)C1n2nc(cc2NC(C1)c1ccc(cc1)C)C
InChI:   InChI=1/C15H17F2N3/c1-9-3-5-11(6-4-9)12-8-13(15(16)17)20-14(18-12)7-10(2)19-20/h3-7,12-13,15,18H,8H2,1-2H3/t12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=52.8488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.318 g/mol  logS: -3.25658  SlogP: 4.47394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0692662  Sterimol/B1: 2.91456  Sterimol/B2: 3.57464  Sterimol/B3: 4.03782
  Sterimol/B4: 6.03136  Sterimol/L: 15.5285 
 
 Surface and Volume Properties
  Accessible surface: 509.688  Positive charged surface: 293.362  Negative charged surface: 216.327  Volume: 262
  Hydrophobic surface: 412.536  Hydrophilic surface: 97.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.