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ENAMINE-ZINC03164181

 MMsINC code: MMs01291989
Type: Neutral
Formula: C19H28N2O4S
SMILES:   S(=O)(=O)(N1CC(OC(C1)C)C)c1ccc(cc1)C(=O)NC1CCCCC1
InChI:   InChI=1/C19H28N2O4S/c1-14-12-21(13-15(2)25-14)26(23,24)18-10-8-16(9-11-18)19(22)20-17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3,(H,20,22)/t14-,15+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.3303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.509 g/mol  logS: -3.86161  SlogP: 2.547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475376  Sterimol/B1: 2.14501  Sterimol/B2: 3.8724  Sterimol/B3: 4.84043
  Sterimol/B4: 7.42304  Sterimol/L: 19.4115 
 
 Surface and Volume Properties
  Accessible surface: 655.974  Positive charged surface: 441.554  Negative charged surface: 214.42  Volume: 360.75
  Hydrophobic surface: 514.157  Hydrophilic surface: 141.817
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.