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ENAMINE-ZINC05128410

 MMsINC code: MMs01591202
Type: Neutral
Formula: C15H10FNO3
SMILES:   Fc1cc(ccc1)\C=C\C(=O)c1cc([N+](=O)[O-])ccc1
InChI:   InChI=1/C15H10FNO3/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(10-12)17(19)20/h1-10H/b8-7+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.2977 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: 3.31763e-07  Sterimol/B1: 2.09915  Sterimol/B2: 2.10092  Sterimol/B3: 3.38919
  Sterimol/B4: 5.09521  Sterimol/L: 16.464 
 
 Surface and Volume Properties
  Accessible surface: 485.758  Positive charged surface: 183.553  Negative charged surface: 302.205  Volume: 241
  Hydrophobic surface: 368.759  Hydrophilic surface: 116.999
 
 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.