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ASINEX-ZINC00315108

 MMsINC code: MMs00116921
Type: Neutral
Formula: C14H10F3NO2
SMILES:   Fc1cc(F)cc(F)c1Cc1cc([N+](=O)[O-])ccc1C
InChI:   InChI=1/C14H10F3NO2/c1-8-2-3-11(18(19)20)4-9(8)5-12-13(16)6-10(15)7-14(12)17/h2-4,6-7H,5H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.2654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.233 g/mol  logS: -5.3369  SlogP: 3.91129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145182  Sterimol/B1: 2.40161  Sterimol/B2: 3.50619  Sterimol/B3: 3.52088
  Sterimol/B4: 7.40777  Sterimol/L: 12.8198 
 
 Surface and Volume Properties
  Accessible surface: 442.333  Positive charged surface: 184.271  Negative charged surface: 258.062  Volume: 228.875
  Hydrophobic surface: 359.725  Hydrophilic surface: 82.608
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.