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ENAMINE-ZINC03367140

 MMsINC code: MMs01399301
Type: Neutral
Formula: C17H13ClN2O2S2
SMILES:   Clc1ccc(cc1NC(=O)c1sccc1)C(=O)NCc1sccc1
InChI:   InChI=1/C17H13ClN2O2S2/c18-13-6-5-11(16(21)19-10-12-3-1-7-23-12)9-14(13)20-17(22)15-4-2-8-24-15/h1-9H,10H2,(H,19,21)(H,20,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.4796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.888 g/mol  logS: -5.61653  SlogP: 4.9117  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.018451  Sterimol/B1: 2.61929  Sterimol/B2: 3.6254  Sterimol/B3: 4.50542
  Sterimol/B4: 6.30609  Sterimol/L: 19.9037 
 
 Surface and Volume Properties
  Accessible surface: 617.297  Positive charged surface: 250.798  Negative charged surface: 366.5  Volume: 322.375
  Hydrophobic surface: 535.642  Hydrophilic surface: 81.655
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.