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MAYBRIDGE-ZINC01026183

 MMsINC code: MMs02148448
Type: Neutral
Formula: C14H10Cl2N2O4S
SMILES:   Clc1cccc(Cl)c1C(=O)NC(=O)Nc1ccsc1C(OC)=O
InChI:   InChI=1/C14H10Cl2N2O4S/c1-22-13(20)11-9(5-6-23-11)17-14(21)18-12(19)10-7(15)3-2-4-8(10)16/h2-6H,1H3,(H2,17,18,19,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.4739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.216 g/mol  logS: -5.24038  SlogP: 3.8034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.057919  Sterimol/B1: 1.969  Sterimol/B2: 4.72269  Sterimol/B3: 4.78374
  Sterimol/B4: 8.31166  Sterimol/L: 16.1989 
 
 Surface and Volume Properties
  Accessible surface: 567.433  Positive charged surface: 250.614  Negative charged surface: 316.819  Volume: 292.375
  Hydrophobic surface: 462.992  Hydrophilic surface: 104.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.