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ENAMINE-ZINC05510788

 MMsINC code: MMs01618453
Type: Neutral
Formula: C20H24N2O4S
SMILES:   S(=O)(=O)(N1CCCC1)c1cc(ccc1)C(=O)NC(C)c1ccccc1OC
InChI:   InChI=1/C20H24N2O4S/c1-15(18-10-3-4-11-19(18)26-2)21-20(23)16-8-7-9-17(14-16)27(24,25)22-12-5-6-13-22/h3-4,7-11,14-15H,5-6,12-13H2,1-2H3,(H,21,23)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.3767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.488 g/mol  logS: -4.14244  SlogP: 3.0662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.056179  Sterimol/B1: 2.31343  Sterimol/B2: 3.26836  Sterimol/B3: 6.16645
  Sterimol/B4: 6.70369  Sterimol/L: 17.7216 
 
 Surface and Volume Properties
  Accessible surface: 655.343  Positive charged surface: 417.754  Negative charged surface: 237.589  Volume: 363.375
  Hydrophobic surface: 544.727  Hydrophilic surface: 110.616
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.