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CHEMDIV-ZINC00385426

 MMsINC code: MMs00849872
Type: Neutral
Formula: C15H11FN2O2
SMILES:   Fc1ccccc1NC(=O)Cc1noc2c1cccc2
InChI:   InChI=1/C15H11FN2O2/c16-11-6-2-3-7-12(11)17-15(19)9-13-10-5-1-4-8-14(10)20-18-13/h1-8H,9H2,(H,17,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.0601 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: 0.122712  Sterimol/B1: 2.23392  Sterimol/B2: 2.83335  Sterimol/B3: 5.15211
  Sterimol/B4: 5.85032  Sterimol/L: 14.469 
 
 Surface and Volume Properties
  Accessible surface: 483.215  Positive charged surface: 247.328  Negative charged surface: 232.026  Volume: 244.125
  Hydrophobic surface: 422.488  Hydrophilic surface: 60.727
 
 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.