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CHEMBRIDGE-ZINC01051482

 MMsINC code: MMs00653173
Type: Neutral
Formula: C24H17ClN2O6S
SMILES:   Clc1ccc(cc1)C(=O)N(N1C(=O)CCC1=O)CC(=O)c1ccc(OC(=O)c2sccc2)c
c1
InChI:   InChI=1/C24H17ClN2O6S/c25-17-7-3-16(4-8-17)23(31)26(27-21(29)11-12-22(27)30)14-19(28)15-5-9-18(10-6-15)33-24(32)20-2-1-13-34-20/h1-10,13H,11-12,14H2

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Potential Energy
Epot(MMFF94)=189.89 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 496.927 g/mol  logS: -6.65778  SlogP: 4.0098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391642  Sterimol/B1: 3.69544  Sterimol/B2: 4.37337  Sterimol/B3: 4.56845
  Sterimol/B4: 5.61012  Sterimol/L: 23.3087 
 
 Surface and Volume Properties
  Accessible surface: 727.53  Positive charged surface: 311.861  Negative charged surface: 415.669  Volume: 418.375
  Hydrophobic surface: 593.21  Hydrophilic surface: 134.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.