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ENAMINE-ZINC02642934

 MMsINC code: MMs01270051
Type: Neutral
Formula: C18H19NO4S
SMILES:   S(=O)(=O)(Nc1cc2CCCc2cc1)c1ccc(cc1)C(OCC)=O
InChI:   InChI=1/C18H19NO4S/c1-2-23-18(20)14-7-10-17(11-8-14)24(21,22)19-16-9-6-13-4-3-5-15(13)12-16/h6-12,19H,2-5H2,1H3

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Potential Energy
Epot(MMFF94)=58.7805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.419 g/mol  logS: -5.11668  SlogP: 3.15274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120375  Sterimol/B1: 2.68926  Sterimol/B2: 3.48316  Sterimol/B3: 4.6239
  Sterimol/B4: 9.23515  Sterimol/L: 15.097 
 
 Surface and Volume Properties
  Accessible surface: 598.63  Positive charged surface: 372.008  Negative charged surface: 226.621  Volume: 316.25
  Hydrophobic surface: 455.898  Hydrophilic surface: 142.732
 
 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.