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ENAMINE-ZINC03611704

 MMsINC code: MMs01524282
Type: Neutral
Formula: C20H22Cl2N2O4S
SMILES:   Clc1c(S(=O)(=O)N2CCC(CC2)C(=O)NCc2ccc(OC)cc2)cccc1Cl
InChI:   InChI=1/C20H22Cl2N2O4S/c1-28-16-7-5-14(6-8-16)13-23-20(25)15-9-11-24(12-10-15)29(26,27)18-4-2-3-17(21)19(18)22/h2-8,15H,9-13H2,1H3,(H,23,25)

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Potential Energy
Epot(MMFF94)=60.1438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 457.378 g/mol  logS: -5.06673  SlogP: 3.9855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0929323  Sterimol/B1: 3.5123  Sterimol/B2: 4.91381  Sterimol/B3: 5.32498
  Sterimol/B4: 6.45269  Sterimol/L: 18.0255 
 
 Surface and Volume Properties
  Accessible surface: 676.979  Positive charged surface: 387.689  Negative charged surface: 289.291  Volume: 390.5
  Hydrophobic surface: 570.259  Hydrophilic surface: 106.72
 
 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.