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PUBCHEM-ZINC00385427

 MMsINC code: MMs02669697
Type: Neutral
Formula: C15H11FN2O2
SMILES:   Fc1cc(NC(=O)Cc2noc3c2cccc3)ccc1
InChI:   InChI=1/C15H11FN2O2/c16-10-4-3-5-11(8-10)17-15(19)9-13-12-6-1-2-7-14(12)20-18-13/h1-8H,9H2,(H,17,19)

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Potential Energy
Epot(MMFF94)=62.4635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.263 g/mol  logS: -4.35727  SlogP: 3.14807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120279  Sterimol/B1: 2.36424  Sterimol/B2: 2.86794  Sterimol/B3: 5.00371
  Sterimol/B4: 5.89149  Sterimol/L: 14.4733 
 
 Surface and Volume Properties
  Accessible surface: 485.829  Positive charged surface: 244.893  Negative charged surface: 237.075  Volume: 242.375
  Hydrophobic surface: 423.774  Hydrophilic surface: 62.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.