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NCID-ZINC05329806

 MMsINC code: MMs02451956
Type: Neutral
Formula: C15H10FNO3
SMILES:   Fc1ccc(cc1)C(=O)\C=C/c1cc([N+](=O)[O-])ccc1
InChI:   InChI=1/C15H10FNO3/c16-13-7-5-12(6-8-13)15(18)9-4-11-2-1-3-14(10-11)17(19)20/h1-10H/b9-4-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.247 g/mol  logS: -5.04872  SlogP: 3.63  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0482699  Sterimol/B1: 2.097  Sterimol/B2: 2.65369  Sterimol/B3: 4.63648
  Sterimol/B4: 5.80412  Sterimol/L: 15.6733 
 
 Surface and Volume Properties
  Accessible surface: 472.606  Positive charged surface: 198.697  Negative charged surface: 273.909  Volume: 238.25
  Hydrophobic surface: 377.317  Hydrophilic surface: 95.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.