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PUBCHEM-ZINC00679892

 MMsINC code: MMs02726255
Type: Neutral
Formula: C26H23ClN4O6S
SMILES:   Clc1cc(OCc2cc(ccc2)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(OC)nc(OC)c3)cc
2)ccc1
InChI:   InChI=1/C26H23ClN4O6S/c1-35-24-15-23(29-26(30-24)36-2)31-38(33,34)22-11-9-20(10-12-22)28-25(32)18-6-3-5-17(13-18)16-37-21-8-4-7-19(27)14-21/h3-15H,16H2,1-2H3,(H,28,32)(H,29,30,31)

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Potential Energy
Epot(MMFF94)=68.6073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 555.011 g/mol  logS: -7.79716  SlogP: 5.0457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0520178  Sterimol/B1: 2.3986  Sterimol/B2: 4.60645  Sterimol/B3: 7.16538
  Sterimol/B4: 7.28906  Sterimol/L: 24.118 
 
 Surface and Volume Properties
  Accessible surface: 855.703  Positive charged surface: 484.161  Negative charged surface: 371.542  Volume: 480.625
  Hydrophobic surface: 676.214  Hydrophilic surface: 179.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.