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ENAMINE-ZINC03263247

 MMsINC code: MMs01337988
Type: Neutral
Formula: C10H7Cl3N4OS2
SMILES:   Clc1cc(Cl)cc(Cl)c1NC(=O)CSc1sc(nn1)N
InChI:   InChI=1/C10H7Cl3N4OS2/c11-4-1-5(12)8(6(13)2-4)15-7(18)3-19-10-17-16-9(14)20-10/h1-2H,3H2,(H2,14,16)(H,15,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.5741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.684 g/mol  logS: -6.86641  SlogP: 3.8113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.028463  Sterimol/B1: 3.16526  Sterimol/B2: 3.60815  Sterimol/B3: 3.65169
  Sterimol/B4: 5.84483  Sterimol/L: 18.5936 
 
 Surface and Volume Properties
  Accessible surface: 548.612  Positive charged surface: 181.461  Negative charged surface: 367.15  Volume: 272.5
  Hydrophobic surface: 343.988  Hydrophilic surface: 204.624
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.