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OAKWOOD-ZINC02526596

 MMsINC code: MMs02544324
Type: Neutral
Formula: C14H14F3N3
SMILES:   FC(F)(F)C1n2nccc2NC(C1)c1ccc(cc1)C
InChI:   InChI=1/C14H14F3N3/c1-9-2-4-10(5-3-9)11-8-12(14(15,16)17)20-13(19-11)6-7-18-20/h2-7,11-12,19H,8H2,1H3/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=51.525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.281 g/mol  logS: -3.49807  SlogP: 4.46272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0888989  Sterimol/B1: 3.17843  Sterimol/B2: 4.05148  Sterimol/B3: 4.6227
  Sterimol/B4: 5.0813  Sterimol/L: 14.1949 
 
 Surface and Volume Properties
  Accessible surface: 478.914  Positive charged surface: 257.588  Negative charged surface: 221.327  Volume: 247.125
  Hydrophobic surface: 356.477  Hydrophilic surface: 122.437
 
 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.