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ASINEX-ZINC00789469

 MMsINC code: MMs00164416
Type: Neutral
Formula: C25H25ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N2CCC(CC2)C(=O)NC(c2ccccc2)c2ccccc2)cc1
InChI:   InChI=1/C25H25ClN2O3S/c26-22-11-13-23(14-12-22)32(30,31)28-17-15-21(16-18-28)25(29)27-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,21,24H,15-18H2,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 469.005 g/mol  logS: -6.04996  SlogP: 4.742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156587  Sterimol/B1: 2.30339  Sterimol/B2: 4.76901  Sterimol/B3: 5.41908
  Sterimol/B4: 9.04906  Sterimol/L: 15.5302 
 
 Surface and Volume Properties
  Accessible surface: 734.33  Positive charged surface: 374.925  Negative charged surface: 359.405  Volume: 428.625
  Hydrophobic surface: 653.471  Hydrophilic surface: 80.859
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.