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MAYBRIDGE-ZINC01033630

 MMsINC code: MMs02150390
Type: Neutral
Formula: C18H14Cl2N2OS
SMILES:   Clc1cc(Cl)ccc1CN(C(=O)c1sccc1)Cc1cccnc1
InChI:   InChI=1/C18H14Cl2N2OS/c19-15-6-5-14(16(20)9-15)12-22(11-13-3-1-7-21-10-13)18(23)17-4-2-8-24-17/h1-10H,11-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=161.228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.295 g/mol  logS: -4.97793  SlogP: 5.8253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126116  Sterimol/B1: 3.27449  Sterimol/B2: 3.95753  Sterimol/B3: 4.20814
  Sterimol/B4: 7.23857  Sterimol/L: 15.0683 
 
 Surface and Volume Properties
  Accessible surface: 557.761  Positive charged surface: 260.038  Negative charged surface: 297.723  Volume: 324.375
  Hydrophobic surface: 505.058  Hydrophilic surface: 52.703
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.