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KEYORGANICS-ZINC02570694

 MMsINC code: MMs02110816
Type: Neutral
Formula: C15H10F6N4
SMILES:   FC(F)(F)c1cc(cc(NCn2nnc3c2cccc3)c1)C(F)(F)F
InChI:   InChI=1/C15H10F6N4/c16-14(17,18)9-5-10(15(19,20)21)7-11(6-9)22-8-25-13-4-2-1-3-12(13)23-24-25/h1-7,22H,8H2

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Potential Energy
Epot(MMFF94)=90.5899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.261 g/mol  logS: -4.46007  SlogP: 5.4279  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.089469  Sterimol/B1: 3.32739  Sterimol/B2: 4.63799  Sterimol/B3: 5.1769
  Sterimol/B4: 5.34034  Sterimol/L: 14.8741 
 
 Surface and Volume Properties
  Accessible surface: 536.137  Positive charged surface: 170.678  Negative charged surface: 365.46  Volume: 276.5
  Hydrophobic surface: 247.514  Hydrophilic surface: 288.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.