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ENAMINE-ZINC03408201

 MMsINC code: MMs01424095
Type: Neutral
Formula: C27H23ClN2O3S2
SMILES:   Clc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(Sc2cc(ccc2C)C)cc1
InChI:   InChI=1/C27H23ClN2O3S2/c1-18-7-8-19(2)26(17-18)34-22-13-11-21(12-14-22)29-27(31)20-9-15-23(16-10-20)35(32,33)30-25-6-4-3-5-24(25)28/h3-17,30H,1-2H3,(H,29,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 523.077 g/mol  logS: -9.23065  SlogP: 7.16114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0790182  Sterimol/B1: 2.84401  Sterimol/B2: 3.2558  Sterimol/B3: 6.22405
  Sterimol/B4: 7.08072  Sterimol/L: 20.0069 
 
 Surface and Volume Properties
  Accessible surface: 795.723  Positive charged surface: 389.347  Negative charged surface: 406.376  Volume: 466.75
  Hydrophobic surface: 658.209  Hydrophilic surface: 137.514
 
 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: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.