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ENAMINE-ZINC03304510

 MMsINC code: MMs01360337
Type: Neutral
Formula: C19H26N2O5S
SMILES:   S(Oc1c(cccc1C)C)(=O)(=O)CCN1C(=O)C2(NC1=O)CCC(CC2)C
InChI:   InChI=1/C19H26N2O5S/c1-13-7-9-19(10-8-13)17(22)21(18(23)20-19)11-12-27(24,25)26-16-14(2)5-4-6-15(16)3/h4-6,13H,7-12H2,1-3H3,(H,20,23)/t13-,19+

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Potential Energy
Epot(MMFF94)=64.9959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.492 g/mol  logS: -4.4096  SlogP: 2.51274  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0657472  Sterimol/B1: 2.41602  Sterimol/B2: 3.34067  Sterimol/B3: 5.55959
  Sterimol/B4: 6.32969  Sterimol/L: 17.895 
 
 Surface and Volume Properties
  Accessible surface: 616.135  Positive charged surface: 372.388  Negative charged surface: 243.748  Volume: 357.375
  Hydrophobic surface: 459.703  Hydrophilic surface: 156.432
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.