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CHEMDIV-ZINC06819066

 MMsINC code: MMs01042575
Type: Neutral
Formula: C19H25N3O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(n(c1)C)C(=O)Nc1ccc(cc1)C(C)C
InChI:   InChI=1/C19H25N3O4S/c1-14(2)15-4-6-16(7-5-15)20-19(23)18-12-17(13-21(18)3)27(24,25)22-8-10-26-11-9-22/h4-7,12-14H,8-11H2,1-3H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=96.8046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.492 g/mol  logS: -3.55442  SlogP: 2.7809  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347071  Sterimol/B1: 2.22598  Sterimol/B2: 3.97166  Sterimol/B3: 5.66895
  Sterimol/B4: 6.16119  Sterimol/L: 19.4846 
 
 Surface and Volume Properties
  Accessible surface: 657.834  Positive charged surface: 449.154  Negative charged surface: 208.681  Volume: 363.25
  Hydrophobic surface: 500.542  Hydrophilic surface: 157.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.