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CHEMDIV-ZINC06805856

 MMsINC code: MMs01033117
Type: Neutral
Formula: C19H15F2N3O2
SMILES:   Fc1cc(F)ccc1NC(=O)Cn1ncc2c1-c1cc(ccc1OC2)C
InChI:   InChI=1/C19H15F2N3O2/c1-11-2-5-17-14(6-11)19-12(10-26-17)8-22-24(19)9-18(25)23-16-4-3-13(20)7-15(16)21/h2-8H,9-10H2,1H3,(H,23,25)

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Potential Energy
Epot(MMFF94)=99.6922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.344 g/mol  logS: -5.3432  SlogP: 4.20062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127176  Sterimol/B1: 2.34694  Sterimol/B2: 3.23488  Sterimol/B3: 5.04307
  Sterimol/B4: 9.50279  Sterimol/L: 14.8346 
 
 Surface and Volume Properties
  Accessible surface: 565.697  Positive charged surface: 336.821  Negative charged surface: 228.876  Volume: 313.375
  Hydrophobic surface: 483.848  Hydrophilic surface: 81.849
 
 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.