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ACROSORGANICS-ZINC02166808

 MMsINC code: MMs00013008
Type: Neutral
Formula: C7H3F3N2O4
SMILES:   FC(F)(F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChI:   InChI=1/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.4059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.105 g/mol  logS: -4.02189  SlogP: 2.8333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0343621  Sterimol/B1: 2.15558  Sterimol/B2: 2.81507  Sterimol/B3: 4.14563
  Sterimol/B4: 6.54182  Sterimol/L: 9.31905 
 
 Surface and Volume Properties
  Accessible surface: 361.359  Positive charged surface: 62.1597  Negative charged surface: 299.2  Volume: 155.375
  Hydrophobic surface: 92.7126  Hydrophilic surface: 268.6464
 
 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.