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PUBCHEM-ZINC01448495

 MMsINC code: MMs02806706
Type: Neutral
Formula: C28H24N2O4S2
SMILES:   S(=O)(=O)(N1CCc2c1cccc2)c1ccc(cc1)-c1ccc(S(=O)(=O)N2CCc3c2cc
cc3)cc1
InChI:   InChI=1/C28H24N2O4S2/c31-35(32,29-19-17-23-5-1-3-7-27(23)29)25-13-9-21(10-14-25)22-11-15-26(16-12-22)36(33,34)30-20-18-24-6-2-4-8-28(24)30/h1-16H,17-20H2

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Potential Energy
Epot(MMFF94)=128.481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 516.642 g/mol  logS: -7.65384  SlogP: 4.85634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0924878  Sterimol/B1: 2.54075  Sterimol/B2: 3.78145  Sterimol/B3: 4.69481
  Sterimol/B4: 8.26716  Sterimol/L: 17.8695 
 
 Surface and Volume Properties
  Accessible surface: 768.869  Positive charged surface: 394.733  Negative charged surface: 363.873  Volume: 458.875
  Hydrophobic surface: 662.32  Hydrophilic surface: 106.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.