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NCID-ZINC01736007

 MMsINC code: MMs02357715
Type: Neutral
Formula: C6H2F2N2O4
SMILES:   Fc1c([N+](=O)[O-])c(F)ccc1[N+](=O)[O-]
InChI:   InChI=1/C6H2F2N2O4/c7-3-1-2-4(9(11)12)5(8)6(3)10(13)14/h1-2H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.5464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.088 g/mol  logS: -3.5553  SlogP: 1.7812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0342672  Sterimol/B1: 2.86368  Sterimol/B2: 2.86644  Sterimol/B3: 3.26787
  Sterimol/B4: 5.16215  Sterimol/L: 10.1728 
 
 Surface and Volume Properties
  Accessible surface: 326.615  Positive charged surface: 78.6442  Negative charged surface: 247.971  Volume: 134.5
  Hydrophobic surface: 162.775  Hydrophilic surface: 163.84
 
 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.