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CHEMDIV-ZINC06747810

 MMsINC code: MMs01010127
Type: Neutral
Formula: C18H14FN3O2
SMILES:   Fc1ccc(cc1)-c1n[nH]c2c1C(N(C)C2=O)c1cc(O)ccc1
InChI:   InChI=1/C18H14FN3O2/c1-22-17(11-3-2-4-13(23)9-11)14-15(20-21-16(14)18(22)24)10-5-7-12(19)8-6-10/h2-9,17,23H,1H3,(H,20,21)/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=88.3711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.327 g/mol  logS: -4.23249  SlogP: 3.1919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144827  Sterimol/B1: 2.37  Sterimol/B2: 4.98599  Sterimol/B3: 5.34515
  Sterimol/B4: 6.49093  Sterimol/L: 13.0179 
 
 Surface and Volume Properties
  Accessible surface: 509.103  Positive charged surface: 293.958  Negative charged surface: 215.145  Volume: 290.25
  Hydrophobic surface: 353.51  Hydrophilic surface: 155.593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.