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PUBCHEM-ZINC01988377

 MMsINC code: MMs02837974
Type: Neutral
Formula: C26H24ClN5O6S
SMILES:   ClC1=C(Nc2ccc(S(=O)(=O)Nc3nc(cc(n3)C)C)cc2)C(=O)N(C1=O)c1ccc
cc1C(OC(C)C)=O
InChI:   InChI=1/C26H24ClN5O6S/c1-14(2)38-25(35)19-7-5-6-8-20(19)32-23(33)21(27)22(24(32)34)30-17-9-11-18(12-10-17)39(36,37)31-26-28-15(3)13-16(4)29-26/h5-14,30H,1-4H3,(H,28,29,31)

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Potential Energy
Epot(MMFF94)=85.7318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 570.026 g/mol  logS: -7.8395  SlogP: 4.00404  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.178484  Sterimol/B1: 3.53642  Sterimol/B2: 5.24074  Sterimol/B3: 6.28171
  Sterimol/B4: 8.27096  Sterimol/L: 17.2886 
 
 Surface and Volume Properties
  Accessible surface: 824.58  Positive charged surface: 427.913  Negative charged surface: 396.667  Volume: 488.125
  Hydrophobic surface: 588.282  Hydrophilic surface: 236.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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.