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CHEMBLOCK-ZINC03672591

 MMsINC code: MMs00540345
Type: Neutral
Formula: C14H7F3N4O5
SMILES:   FC(F)(F)Oc1ccc(-n2nc3c(c2)c([N+](=O)[O-])cc([N+](=O)[O-])c3)
cc1
InChI:   InChI=1/C14H7F3N4O5/c15-14(16,17)26-10-3-1-8(2-4-10)19-7-11-12(18-19)5-9(20(22)23)6-13(11)21(24)25/h1-7H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.227 g/mol  logS: -6.15526  SlogP: 4.1604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00476125  Sterimol/B1: 2.63502  Sterimol/B2: 2.6421  Sterimol/B3: 2.64996
  Sterimol/B4: 6.96298  Sterimol/L: 17.7906 
 
 Surface and Volume Properties
  Accessible surface: 525.273  Positive charged surface: 136.349  Negative charged surface: 383.637  Volume: 268
  Hydrophobic surface: 212.297  Hydrophilic surface: 312.976
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.