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MAYBRIDGE-ZINC04394411

 MMsINC code: MMs02174516
Type: Neutral
Formula: C15H13Cl2NO2S
SMILES:   Clc1cc([N+](=O)[O-])ccc1CSc1cc(C)c(Cl)cc1C
InChI:   InChI=1/C15H13Cl2NO2S/c1-9-6-15(10(2)5-13(9)16)21-8-11-3-4-12(18(19)20)7-14(11)17/h3-7H,8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.831 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.246 g/mol  logS: -6.75393  SlogP: 6.07714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675184  Sterimol/B1: 2.08521  Sterimol/B2: 3.60761  Sterimol/B3: 4.75493
  Sterimol/B4: 7.64239  Sterimol/L: 17.0666 
 
 Surface and Volume Properties
  Accessible surface: 547.581  Positive charged surface: 212.798  Negative charged surface: 334.783  Volume: 289.875
  Hydrophobic surface: 445.221  Hydrophilic surface: 102.36
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.