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IBS-ZINC02093599

 MMsINC code: MMs01782928
Type: Neutral
Formula: C24H26ClNO6S
SMILES:   Clc1cc2c(OC(=O)C(C)=C2C)cc1OC(=O)C(NS(=O)(=O)c1ccc(cc1)C)CC(
C)C
InChI:   InChI=1/C24H26ClNO6S/c1-13(2)10-20(26-33(29,30)17-8-6-14(3)7-9-17)24(28)32-22-12-21-18(11-19(22)25)15(4)16(5)23(27)31-21/h6-9,11-13,20,26H,10H2,1-5H3/t20-/m1/s1

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Potential Energy
Epot(MMFF94)=103.061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 491.992 g/mol  logS: -7.86446  SlogP: 4.65942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0536957  Sterimol/B1: 2.61505  Sterimol/B2: 3.05752  Sterimol/B3: 6.60986
  Sterimol/B4: 7.96208  Sterimol/L: 19.9092 
 
 Surface and Volume Properties
  Accessible surface: 724.147  Positive charged surface: 388.516  Negative charged surface: 335.631  Volume: 437.625
  Hydrophobic surface: 538.096  Hydrophilic surface: 186.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.