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CHEMDIV-ZINC06921664

 MMsINC code: MMs01063637
Type: Neutral
Formula: C20H19ClN2O4S
SMILES:   Clc1ccccc1NC(=O)c1oc2c(cc(S(=O)(=O)N3CCCC3)cc2)c1C
InChI:   InChI=1/C20H19ClN2O4S/c1-13-15-12-14(28(25,26)23-10-4-5-11-23)8-9-18(15)27-19(13)20(24)22-17-7-3-2-6-16(17)21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=68.4969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.901 g/mol  logS: -6.31382  SlogP: 4.43142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0672797  Sterimol/B1: 1.99172  Sterimol/B2: 3.94273  Sterimol/B3: 4.70837
  Sterimol/B4: 7.48728  Sterimol/L: 19.3953 
 
 Surface and Volume Properties
  Accessible surface: 657.524  Positive charged surface: 365.394  Negative charged surface: 286.478  Volume: 365.375
  Hydrophobic surface: 563.679  Hydrophilic surface: 93.845
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.