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ASINEX-ZINC00282250

 MMsINC code: MMs00107616
Type: Neutral
Formula: C16H14N2OS2
SMILES:   s1c2cc(NC(=O)c3ccccc3C)ccc2nc1SC
InChI:   InChI=1/C16H14N2OS2/c1-10-5-3-4-6-12(10)15(19)17-11-7-8-13-14(9-11)21-16(18-13)20-2/h3-9H,1-2H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=75.3761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.433 g/mol  logS: -6.13704  SlogP: 4.57892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0115035  Sterimol/B1: 2.21559  Sterimol/B2: 2.53026  Sterimol/B3: 3.32413
  Sterimol/B4: 6.58422  Sterimol/L: 18.4695 
 
 Surface and Volume Properties
  Accessible surface: 547.689  Positive charged surface: 278.306  Negative charged surface: 269.383  Volume: 287.5
  Hydrophobic surface: 453.795  Hydrophilic surface: 93.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.