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ASINEX-ZINC00665700

 MMsINC code: MMs00147012
Type: Neutral
Formula: C13H16Cl2N2O4S
SMILES:   Clc1c(Cl)c(S(=O)(=O)N2CCC(CC2)C(=O)N)ccc1OC
InChI:   InChI=1/C13H16Cl2N2O4S/c1-21-9-2-3-10(12(15)11(9)14)22(19,20)17-6-4-8(5-7-17)13(16)18/h2-3,8H,4-7H2,1H3,(H2,16,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.9897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.253 g/mol  logS: -3.40482  SlogP: 1.888  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184434  Sterimol/B1: 3.47162  Sterimol/B2: 3.53946  Sterimol/B3: 5.36784
  Sterimol/B4: 6.77935  Sterimol/L: 13.4131 
 
 Surface and Volume Properties
  Accessible surface: 518.776  Positive charged surface: 304.172  Negative charged surface: 214.604  Volume: 292
  Hydrophobic surface: 361.633  Hydrophilic surface: 157.143
 
 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.