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CHEMBRIDGE-ZINC01822726

 MMsINC code: MMs00698777
Type: Neutral
Formula: C20H12N2OS3
SMILES:   s1c2c(nc1SC(=O)N1c3c(Sc4c1cccc4)cccc3)cccc2
InChI:   InChI=1/C20H12N2OS3/c23-20(26-19-21-13-7-1-4-10-16(13)25-19)22-14-8-2-5-11-17(14)24-18-12-6-3-9-15(18)22/h1-12H

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Potential Energy
Epot(MMFF94)=198.214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.527 g/mol  logS: -8.06744  SlogP: 6.8113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0136605  Sterimol/B1: 2.97216  Sterimol/B2: 3.02055  Sterimol/B3: 5.83802
  Sterimol/B4: 6.51159  Sterimol/L: 16.2281 
 
 Surface and Volume Properties
  Accessible surface: 581.656  Positive charged surface: 279.582  Negative charged surface: 302.074  Volume: 334.5
  Hydrophobic surface: 500.886  Hydrophilic surface: 80.77
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.