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ENAMINE-ZINC06638811

 MMsINC code: MMs01688528
Type: Neutral
Formula: C18H24N2O4S
SMILES:   S(CC(=O)N1CC(CCC1)C(OCC)=O)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C18H24N2O4S/c1-3-24-18(23)14-5-4-10-20(11-14)17(22)12-25-16-8-6-15(7-9-16)19-13(2)21/h6-9,14H,3-5,10-12H2,1-2H3,(H,19,21)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=64.7316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.466 g/mol  logS: -3.72655  SlogP: 2.5388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0173342  Sterimol/B1: 2.23967  Sterimol/B2: 2.65652  Sterimol/B3: 3.46655
  Sterimol/B4: 7.39661  Sterimol/L: 21.8411 
 
 Surface and Volume Properties
  Accessible surface: 656.063  Positive charged surface: 429.262  Negative charged surface: 226.8  Volume: 346.625
  Hydrophobic surface: 484.607  Hydrophilic surface: 171.456
 
 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.