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CHEMDIV-ZINC06767450

 MMsINC code: MMs01017077
Type: Neutral
Formula: C16H16F2N4O
SMILES:   Fc1c(NC(=O)C2CCN(CC2)c2ncccn2)cccc1F
InChI:   InChI=1/C16H16F2N4O/c17-12-3-1-4-13(14(12)18)21-15(23)11-5-9-22(10-6-11)16-19-7-2-8-20-16/h1-4,7-8,11H,5-6,9-10H2,(H,21,23)

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Potential Energy
Epot(MMFF94)=79.5446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.327 g/mol  logS: -3.71214  SlogP: 2.6099  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0459078  Sterimol/B1: 2.22337  Sterimol/B2: 2.94402  Sterimol/B3: 4.32131
  Sterimol/B4: 4.3276  Sterimol/L: 18.1627 
 
 Surface and Volume Properties
  Accessible surface: 542.5  Positive charged surface: 367.569  Negative charged surface: 174.931  Volume: 284.75
  Hydrophobic surface: 479.708  Hydrophilic surface: 62.792
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.