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CHEMBLOCK-ZINC04744934

 MMsINC code: MMs00576114
Type: Neutral
Formula: C15H10FN3O
SMILES:   Fc1ccccc1NC(=O)c1nc2c(nc1)cccc2
InChI:   InChI=1/C15H10FN3O/c16-10-5-1-2-6-11(10)19-15(20)14-9-17-12-7-3-4-8-13(12)18-14/h1-9H,(H,19,20)

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Potential Energy
Epot(MMFF94)=97.0373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.263 g/mol  logS: -3.10197  SlogP: 3.0212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0105146  Sterimol/B1: 2.54442  Sterimol/B2: 2.58134  Sterimol/B3: 3.61704
  Sterimol/B4: 4.77747  Sterimol/L: 16.2105 
 
 Surface and Volume Properties
  Accessible surface: 477.629  Positive charged surface: 265.498  Negative charged surface: 212.131  Volume: 243.5
  Hydrophobic surface: 398.496  Hydrophilic surface: 79.133
 
 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.