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CHEMBRIDGE-ZINC00259466

 MMsINC code: MMs00598644
Type: Neutral
Formula: C14H11FN2O2
SMILES:   Fc1ccc(cc1)C(=O)N\N=C\c1ccc(O)cc1
InChI:   InChI=1/C14H11FN2O2/c15-12-5-3-11(4-6-12)14(19)17-16-9-10-1-7-13(18)8-2-10/h1-9,18H,(H,17,19)/b16-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.6928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.252 g/mol  logS: -3.47118  SlogP: 2.2952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0011861  Sterimol/B1: 2.13413  Sterimol/B2: 2.19425  Sterimol/B3: 2.52739
  Sterimol/B4: 5.28316  Sterimol/L: 17.3247 
 
 Surface and Volume Properties
  Accessible surface: 485.62  Positive charged surface: 256.906  Negative charged surface: 228.714  Volume: 235.5
  Hydrophobic surface: 360.651  Hydrophilic surface: 124.969
 
 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.