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CHEMDIV-ZINC01196519

 MMsINC code: MMs00863985
Type: Neutral
Formula: C24H23N3O3S2
SMILES:   s1c2cc(ccc2nc1NC(=O)C(NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1)C
InChI:   InChI=1/C24H23N3O3S2/c1-16-8-11-19(12-9-16)32(29,30)27-21(15-18-6-4-3-5-7-18)23(28)26-24-25-20-13-10-17(2)14-22(20)31-24/h3-14,21,27H,15H2,1-2H3,(H,25,26,28)/t21-/m1/s1

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Potential Energy
Epot(MMFF94)=73.6489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.598 g/mol  logS: -7.28335  SlogP: 4.44141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.081483  Sterimol/B1: 2.37495  Sterimol/B2: 3.13787  Sterimol/B3: 6.51729
  Sterimol/B4: 7.52933  Sterimol/L: 19.7712 
 
 Surface and Volume Properties
  Accessible surface: 707.123  Positive charged surface: 387.286  Negative charged surface: 319.837  Volume: 424
  Hydrophobic surface: 582.002  Hydrophilic surface: 125.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.