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ENAMINE-ZINC02626860

 MMsINC code: MMs01259399
Type: Neutral
Formula: C19H19NO3S2
SMILES:   s1cccc1S(=O)(=O)N(Cc1ccc(cc1)C)c1ccccc1OC
InChI:   InChI=1/C19H19NO3S2/c1-15-9-11-16(12-10-15)14-20(17-6-3-4-7-18(17)23-2)25(21,22)19-8-5-13-24-19/h3-13H,14H2,1-2H3

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Potential Energy
Epot(MMFF94)=98.3092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.497 g/mol  logS: -5.37951  SlogP: 4.72702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.411236  Sterimol/B1: 2.7976  Sterimol/B2: 4.02949  Sterimol/B3: 5.40586
  Sterimol/B4: 7.33918  Sterimol/L: 13.2388 
 
 Surface and Volume Properties
  Accessible surface: 534.566  Positive charged surface: 307.035  Negative charged surface: 227.531  Volume: 340
  Hydrophobic surface: 471.706  Hydrophilic surface: 62.86
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.