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CHEMDIV-ZINC06873266

 MMsINC code: MMs01050281
Type: Neutral
Formula: C16H10F2N2O3
SMILES:   Fc1cc(F)ccc1NC(=O)c1onc(c1)-c1ccccc1O
InChI:   InChI=1/C16H10F2N2O3/c17-9-5-6-12(11(18)7-9)19-16(22)15-8-13(20-23-15)10-3-1-2-4-14(10)21/h1-8,21H,(H,19,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.7136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.263 g/mol  logS: -4.77733  SlogP: 3.5777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00773822  Sterimol/B1: 2.26849  Sterimol/B2: 2.49377  Sterimol/B3: 2.92005
  Sterimol/B4: 5.72994  Sterimol/L: 18.0374 
 
 Surface and Volume Properties
  Accessible surface: 525.37  Positive charged surface: 253.611  Negative charged surface: 271.76  Volume: 264.25
  Hydrophobic surface: 414.43  Hydrophilic surface: 110.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.