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ENAMINE-ZINC05652761

 MMsINC code: MMs01630901
Type: Neutral
Formula: C19H23NO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(CC)C)c1ccc(cc1)C(OCC)=O
InChI:   InChI=1/C19H23NO4S/c1-4-14(3)15-6-10-17(11-7-15)20-25(22,23)18-12-8-16(9-13-18)19(21)24-5-2/h6-14,20H,4-5H2,1-3H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=59.858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.462 g/mol  logS: -5.77524  SlogP: 4.1776  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0817805  Sterimol/B1: 2.19748  Sterimol/B2: 3.33842  Sterimol/B3: 4.47053
  Sterimol/B4: 10.0371  Sterimol/L: 17.0911 
 
 Surface and Volume Properties
  Accessible surface: 628.739  Positive charged surface: 387.689  Negative charged surface: 241.05  Volume: 345.25
  Hydrophobic surface: 445.112  Hydrophilic surface: 183.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.