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CHEMBRIDGE-ZINC02838557

 MMsINC code: MMs00723510
Type: Neutral
Formula: C24H19ClN2O5S
SMILES:   Clc1ccc(cc1)-c1csc(NC(=O)CCN2C(=O)c3c(cccc3)C2=O)c1C(OCC)=O
InChI:   InChI=1/C24H19ClN2O5S/c1-2-32-24(31)20-18(14-7-9-15(25)10-8-14)13-33-21(20)26-19(28)11-12-27-22(29)16-5-3-4-6-17(16)23(27)30/h3-10,13H,2,11-12H2,1H3,(H,26,28)

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Potential Energy
Epot(MMFF94)=80.6887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.944 g/mol  logS: -7.6477  SlogP: 4.87  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0454947  Sterimol/B1: 2.49194  Sterimol/B2: 3.19668  Sterimol/B3: 4.86839
  Sterimol/B4: 9.13495  Sterimol/L: 22.6444 
 
 Surface and Volume Properties
  Accessible surface: 764.916  Positive charged surface: 384.295  Negative charged surface: 380.621  Volume: 420.125
  Hydrophobic surface: 605.108  Hydrophilic surface: 159.808
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.