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CHEMDIV-ZINC03662208

 MMsINC code: MMs00915928
Type: Neutral
Formula: C20H25NO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(OCCC)=O)c1ccc(cc1)CC(C)C
InChI:   InChI=1/C20H25NO4S/c1-4-13-25-20(22)17-7-9-18(10-8-17)21-26(23,24)19-11-5-16(6-12-19)14-15(2)3/h5-12,15,21H,4,13-14H2,1-3H3

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Potential Energy
Epot(MMFF94)=58.5156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.489 g/mol  logS: -5.97701  SlogP: 4.25267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0630394  Sterimol/B1: 3.01539  Sterimol/B2: 3.83052  Sterimol/B3: 4.71108
  Sterimol/B4: 8.8175  Sterimol/L: 18.4145 
 
 Surface and Volume Properties
  Accessible surface: 665.056  Positive charged surface: 415.832  Negative charged surface: 249.224  Volume: 364.625
  Hydrophobic surface: 483.832  Hydrophilic surface: 181.224
 
 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.