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CHEMBLOCK-ZINC01422277

 MMsINC code: MMs00519015
Type: Neutral
Formula: C15H11FN4O3
SMILES:   Fc1ccc(cc1)CNC(=O)c1cc([N+](=O)[O-])cc2c1[nH]nc2
InChI:   InChI=1/C15H11FN4O3/c16-11-3-1-9(2-4-11)7-17-15(21)13-6-12(20(22)23)5-10-8-18-19-14(10)13/h1-6,8H,7H2,(H,17,21)(H,18,19)

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Potential Energy
Epot(MMFF94)=61.5791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.276 g/mol  logS: -4.66684  SlogP: 2.8066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0559251  Sterimol/B1: 2.41992  Sterimol/B2: 3.9977  Sterimol/B3: 4.81971
  Sterimol/B4: 6.17086  Sterimol/L: 15.8466 
 
 Surface and Volume Properties
  Accessible surface: 524.194  Positive charged surface: 255.867  Negative charged surface: 262.981  Volume: 266.75
  Hydrophobic surface: 349.676  Hydrophilic surface: 174.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.