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PUBCHEM-ZINC01050936

 MMsINC code: MMs02761207
Type: Neutral
Formula: C15H9FN2O2
SMILES:   Fc1ccc(cc1)/C(=C\c1cc([N+](=O)[O-])ccc1)/C#N
InChI:   InChI=1/C15H9FN2O2/c16-14-6-4-12(5-7-14)13(10-17)8-11-2-1-3-15(9-11)18(19)20/h1-9H/b13-8-

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Potential Energy
Epot(MMFF94)=84.9567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.247 g/mol  logS: -5.10433  SlogP: 3.79808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.252586  Sterimol/B1: 3.73527  Sterimol/B2: 4.06481  Sterimol/B3: 5.3223
  Sterimol/B4: 5.55815  Sterimol/L: 10.5641 
 
 Surface and Volume Properties
  Accessible surface: 453.739  Positive charged surface: 194.436  Negative charged surface: 259.304  Volume: 240.25
  Hydrophobic surface: 312.428  Hydrophilic surface: 141.311
 
 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.