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MAYBRIDGE-ZINC03134130

 MMsINC code: MMs02161327
Type: Neutral
Formula: C16H23F3N6O
SMILES:   FC(F)(F)C1=Nc2n(nc(c2)C(C)(C)C)C(NNC(=O)NCCCC)=C1
InChI:   InChI=1/C16H23F3N6O/c1-5-6-7-20-14(26)23-22-13-9-11(16(17,18)19)21-12-8-10(15(2,3)4)24-25(12)13/h8-9,22H,5-7H2,1-4H3,(H2,20,23,26)

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Potential Energy
Epot(MMFF94)=99.5385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.395 g/mol  logS: -4.01497  SlogP: 3.6512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379237  Sterimol/B1: 3.4915  Sterimol/B2: 3.61217  Sterimol/B3: 3.74128
  Sterimol/B4: 9.09925  Sterimol/L: 15.7125 
 
 Surface and Volume Properties
  Accessible surface: 651.95  Positive charged surface: 377.036  Negative charged surface: 274.914  Volume: 333.5
  Hydrophobic surface: 365.621  Hydrophilic surface: 286.329
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.