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CHEMBLOCK-ZINC01088435

 MMsINC code: MMs00515927
Type: Neutral
Formula: C15H13ClN2O4S
SMILES:   Clc1cc(NC(=O)CCC(O)=O)ccc1NC(=O)c1sccc1
InChI:   InChI=1/C15H13ClN2O4S/c16-10-8-9(17-13(19)5-6-14(20)21)3-4-11(10)18-15(22)12-2-1-7-23-12/h1-4,7-8H,5-6H2,(H,17,19)(H,18,22)(H,20,21)

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Potential Energy
Epot(MMFF94)=56.7174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.798 g/mol  logS: -3.8576  SlogP: 3.4571  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0266498  Sterimol/B1: 2.18342  Sterimol/B2: 3.79367  Sterimol/B3: 4.05005
  Sterimol/B4: 4.82154  Sterimol/L: 20.0425 
 
 Surface and Volume Properties
  Accessible surface: 581.314  Positive charged surface: 281.788  Negative charged surface: 299.526  Volume: 295.375
  Hydrophobic surface: 404.06  Hydrophilic surface: 177.254
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00515928
CHEMBLOCK-ZINC01088435