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ASINEX-ZINC00792484

 MMsINC code: MMs00165305
Type: Neutral
Formula: C17H22Cl2N2O4S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC1)C(=O)NCC1OCCC1
InChI:   InChI=1/C17H22Cl2N2O4S/c18-13-3-4-15(19)16(10-13)26(23,24)21-7-5-12(6-8-21)17(22)20-11-14-2-1-9-25-14/h3-4,10,12,14H,1-2,5-9,11H2,(H,20,22)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=44.7337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.345 g/mol  logS: -3.94347  SlogP: 2.6893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0804721  Sterimol/B1: 2.53601  Sterimol/B2: 4.11018  Sterimol/B3: 4.44767
  Sterimol/B4: 7.38942  Sterimol/L: 18.0667 
 
 Surface and Volume Properties
  Accessible surface: 628.038  Positive charged surface: 371.43  Negative charged surface: 256.608  Volume: 355.5
  Hydrophobic surface: 526.314  Hydrophilic surface: 101.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.