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APOLLO-ZINC04276765

 MMsINC code: MMs00057384
Type: Neutral
Formula: C15H10FNO3
SMILES:   Fc1ccc(cc1)C(=O)\C=C\c1ccccc1[N+](=O)[O-]
InChI:   InChI=1/C15H10FNO3/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17(19)20/h1-10H/b10-7+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.7005 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: 0.00529169  Sterimol/B1: 2.17202  Sterimol/B2: 2.55734  Sterimol/B3: 2.86213
  Sterimol/B4: 6.64522  Sterimol/L: 14.9857 
 
 Surface and Volume Properties
  Accessible surface: 480.135  Positive charged surface: 189.779  Negative charged surface: 290.357  Volume: 242.125
  Hydrophobic surface: 370.754  Hydrophilic surface: 109.381
 
 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.