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CHEMBRIDGE-ZINC00471950

 MMsINC code: MMs00627344
Type: Neutral
Formula: C15H11ClN2OS
SMILES:   Clc1ccc(cc1)-c1nc(on1)CSc1ccccc1
InChI:   InChI=1/C15H11ClN2OS/c16-12-8-6-11(7-9-12)15-17-14(19-18-15)10-20-13-4-2-1-3-5-13/h1-9H,10H2

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Potential Energy
Epot(MMFF94)=70.9987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.785 g/mol  logS: -6.70732  SlogP: 4.9487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0422415  Sterimol/B1: 3.37521  Sterimol/B2: 3.686  Sterimol/B3: 4.1736
  Sterimol/B4: 4.32601  Sterimol/L: 18.7766 
 
 Surface and Volume Properties
  Accessible surface: 537.928  Positive charged surface: 231.014  Negative charged surface: 306.914  Volume: 269.375
  Hydrophobic surface: 449.392  Hydrophilic surface: 88.536
 
 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.