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PUBCHEM-ZINC06380664

MMsINC code: MMs03694606

Type: Neutral
Formula: C15H18N2O3S
SMILES:   S(C=1N(COCCC)C(=O)NC(=O)C=1C)c1ccccc1
InChI:   InChI=1/C15H18N2O3S/c1-3-9-20-10-17-14(11(2)13(18)16-15(17)19)21-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,16,18,19)

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Potential Energy
Epot(MMFF94)=17.1036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.386 g/mol  logS: -3.87163  SlogP: 2.9461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184549  Sterimol/B1: 3.75583  Sterimol/B2: 3.75643  Sterimol/B3: 4.59189
  Sterimol/B4: 7.3519  Sterimol/L: 14.0594 
 
 Surface and Volume Properties
  Accessible surface: 539.472  Positive charged surface: 325.62  Negative charged surface: 213.852  Volume: 286.75
  Hydrophobic surface: 371.775  Hydrophilic surface: 167.697
 
 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.