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PUBCHEM-ZINC05573902

 MMsINC code: MMs03311004
Type: Neutral
Formula: C10H14F2N6S
SMILES:   S(C(F)F)c1nc(nc(n1)NCC)NC(C#N)(C)C
InChI:   InChI=1/C10H14F2N6S/c1-4-14-7-15-8(18-10(2,3)5-13)17-9(16-7)19-6(11)12/h6H,4H2,1-3H3,(H2,14,15,16,17,18)

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Potential Energy
Epot(MMFF94)=-47.7611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.326 g/mol  logS: -4.31261  SlogP: 2.75208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0664981  Sterimol/B1: 2.5846  Sterimol/B2: 3.62371  Sterimol/B3: 3.62455
  Sterimol/B4: 7.60001  Sterimol/L: 14.7565 
 
 Surface and Volume Properties
  Accessible surface: 491.131  Positive charged surface: 284.075  Negative charged surface: 207.056  Volume: 249.75
  Hydrophobic surface: 183.28  Hydrophilic surface: 307.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.