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ASINEX-ZINC00814070

 MMsINC code: MMs00177395
Type: Neutral
Formula: C25H31ClN2O4S
SMILES:   Clc1cc(S(=O)(=O)N2CCC(CC2)C(=O)N2CCC(CC2)Cc2ccccc2)ccc1OC
InChI:   InChI=1/C25H31ClN2O4S/c1-32-24-8-7-22(18-23(24)26)33(30,31)28-15-11-21(12-16-28)25(29)27-13-9-20(10-14-27)17-19-5-3-2-4-6-19/h2-8,18,20-21H,9-17H2,1H3

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Potential Energy
Epot(MMFF94)=78.3029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 491.052 g/mol  logS: -5.23008  SlogP: 4.23057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0982666  Sterimol/B1: 2.38392  Sterimol/B2: 5.0855  Sterimol/B3: 5.57815
  Sterimol/B4: 8.0536  Sterimol/L: 20.4094 
 
 Surface and Volume Properties
  Accessible surface: 756.627  Positive charged surface: 474.859  Negative charged surface: 281.768  Volume: 452.375
  Hydrophobic surface: 665.668  Hydrophilic surface: 90.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.