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ENAMINE-ZINC03544747

 MMsINC code: MMs01500154
Type: Neutral
Formula: C26H26N2O5S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1ccc(cc1)C(OC(C(=O)N1CCc2c1cccc2)C)
=O
InChI:   InChI=1/C26H26N2O5S/c1-3-28(22-10-5-4-6-11-22)34(31,32)23-15-13-21(14-16-23)26(30)33-19(2)25(29)27-18-17-20-9-7-8-12-24(20)27/h4-16,19H,3,17-18H2,1-2H3/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=139.4 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.569 g/mol  logS: -6.23276  SlogP: 4.03637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0709485  Sterimol/B1: 3.05537  Sterimol/B2: 4.35425  Sterimol/B3: 5.85501
  Sterimol/B4: 7.39542  Sterimol/L: 20.3612 
 
 Surface and Volume Properties
  Accessible surface: 746.692  Positive charged surface: 409.451  Negative charged surface: 337.241  Volume: 442.125
  Hydrophobic surface: 595.136  Hydrophilic surface: 151.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.