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ASINEX-ZINC00799981

 MMsINC code: MMs00169627
Type: Neutral
Formula: C16H21ClN2O4S
SMILES:   Clc1cc(S(=O)(=O)N2CC(CCC2)C(=O)NC2CC2)ccc1OC
InChI:   InChI=1/C16H21ClN2O4S/c1-23-15-7-6-13(9-14(15)17)24(21,22)19-8-2-3-11(10-19)16(20)18-12-4-5-12/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=46.7812 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.873 g/mol  logS: -3.11692  SlogP: 2.0279  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0529005  Sterimol/B1: 2.02619  Sterimol/B2: 2.65204  Sterimol/B3: 5.09069
  Sterimol/B4: 7.41721  Sterimol/L: 17.5409 
 
 Surface and Volume Properties
  Accessible surface: 612.79  Positive charged surface: 372.444  Negative charged surface: 240.346  Volume: 330.25
  Hydrophobic surface: 472.797  Hydrophilic surface: 139.993
 
 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.