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ENAMINE-ZINC03370395

 MMsINC code: MMs01401422
Type: Neutral
Formula: C24H25ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N(Cc2ccccc2)C)cc1C(=O)NCCc1ccc(OC)cc1
InChI:   InChI=1/C24H25ClN2O4S/c1-27(17-19-6-4-3-5-7-19)32(29,30)21-12-13-23(25)22(16-21)24(28)26-15-14-18-8-10-20(31-2)11-9-18/h3-13,16H,14-15,17H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.993 g/mol  logS: -5.82651  SlogP: 4.40817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0360413  Sterimol/B1: 2.97436  Sterimol/B2: 3.78744  Sterimol/B3: 4.53348
  Sterimol/B4: 8.65893  Sterimol/L: 22.9238 
 
 Surface and Volume Properties
  Accessible surface: 765.864  Positive charged surface: 451.798  Negative charged surface: 314.065  Volume: 432.625
  Hydrophobic surface: 669.593  Hydrophilic surface: 96.271
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.