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ASINEX-ZINC01324351

 MMsINC code: MMs00234607
Type: Neutral
Formula: C20H14FN3O3S
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1
InChI:   InChI=1/C20H14FN3O3S/c21-14-6-4-13(5-7-14)12-23-17-8-9-28-19(17)11-18(23)20(25)22-15-2-1-3-16(10-15)24(26)27/h1-11H,12H2,(H,22,25)

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Potential Energy
Epot(MMFF94)=92.9214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.414 g/mol  logS: -6.16736  SlogP: 5.3171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0429186  Sterimol/B1: 3.30515  Sterimol/B2: 3.714  Sterimol/B3: 3.73678
  Sterimol/B4: 8.23189  Sterimol/L: 16.8044 
 
 Surface and Volume Properties
  Accessible surface: 600.46  Positive charged surface: 243.784  Negative charged surface: 356.676  Volume: 339.75
  Hydrophobic surface: 479.942  Hydrophilic surface: 120.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.