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PUBCHEM-ZINC01135180

 MMsINC code: MMs02776844
Type: Neutral
Formula: C23H22Cl2N2O4S
SMILES:   Clc1cc(NC(=O)CN(S(=O)(=O)c2ccc(cc2)C)Cc2cc(Cl)ccc2)c(OC)cc1
InChI:   InChI=1/C23H22Cl2N2O4S/c1-16-6-9-20(10-7-16)32(29,30)27(14-17-4-3-5-18(24)12-17)15-23(28)26-21-13-19(25)8-11-22(21)31-2/h3-13H,14-15H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.6883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 493.411 g/mol  logS: -7.05565  SlogP: 5.40642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126269  Sterimol/B1: 2.3248  Sterimol/B2: 4.6725  Sterimol/B3: 5.67108
  Sterimol/B4: 10.7268  Sterimol/L: 17.1789 
 
 Surface and Volume Properties
  Accessible surface: 741.757  Positive charged surface: 380.589  Negative charged surface: 361.168  Volume: 431.375
  Hydrophobic surface: 660.241  Hydrophilic surface: 81.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.