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CHEMDIV-ZINC06791649

 MMsINC code: MMs01024005
Type: Neutral
Formula: C19H18F2N4O
SMILES:   Fc1ccccc1-c1oc(nn1)CN1CCN(CC1)c1ccc(F)cc1
InChI:   InChI=1/C19H18F2N4O/c20-14-5-7-15(8-6-14)25-11-9-24(10-12-25)13-18-22-23-19(26-18)16-3-1-2-4-17(16)21/h1-8H,9-13H2

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Potential Energy
Epot(MMFF94)=151.602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.376 g/mol  logS: -5.51573  SlogP: 3.6034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544619  Sterimol/B1: 2.35687  Sterimol/B2: 3.34489  Sterimol/B3: 4.84799
  Sterimol/B4: 6.86138  Sterimol/L: 17.9447 
 
 Surface and Volume Properties
  Accessible surface: 597.465  Positive charged surface: 349.942  Negative charged surface: 247.523  Volume: 323.125
  Hydrophobic surface: 520.5  Hydrophilic surface: 76.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs01024006
CHEMDIV-ZINC06791649