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CHEMDIV-ZINC06837552

 MMsINC code: MMs01045231
Type: Neutral
Formula: C15H10F2N2O2
SMILES:   Fc1ccc(F)cc1NC(=O)Cc1noc2c1cccc2
InChI:   InChI=1/C15H10F2N2O2/c16-9-5-6-11(17)13(7-9)18-15(20)8-12-10-3-1-2-4-14(10)21-19-12/h1-7H,8H2,(H,18,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.1009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.253 g/mol  logS: -4.65225  SlogP: 3.28717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125806  Sterimol/B1: 2.41903  Sterimol/B2: 2.45005  Sterimol/B3: 5.3411
  Sterimol/B4: 5.48663  Sterimol/L: 14.4752 
 
 Surface and Volume Properties
  Accessible surface: 489.42  Positive charged surface: 235.867  Negative charged surface: 249.691  Volume: 246
  Hydrophobic surface: 428.693  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.