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CHEMDIV-ZINC06913947

 MMsINC code: MMs01060290
Type: Neutral
Formula: C19H17NO4S2
SMILES:   s1cc(-c2ccccc2)c(S(=O)(=O)Nc2ccc(cc2)C)c1C(OC)=O
InChI:   InChI=1/C19H17NO4S2/c1-13-8-10-15(11-9-13)20-26(22,23)18-16(14-6-4-3-5-7-14)12-25-17(18)19(21)24-2/h3-12,20H,1-2H3

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Potential Energy
Epot(MMFF94)=100.308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.48 g/mol  logS: -6.13542  SlogP: 4.31092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.229016  Sterimol/B1: 2.33999  Sterimol/B2: 3.65702  Sterimol/B3: 5.04065
  Sterimol/B4: 9.0531  Sterimol/L: 13.909 
 
 Surface and Volume Properties
  Accessible surface: 586.048  Positive charged surface: 334.467  Negative charged surface: 251.581  Volume: 338.375
  Hydrophobic surface: 510.205  Hydrophilic surface: 75.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.