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ENAMINE-ZINC03552405

 MMsINC code: MMs01504316
Type: Neutral
Formula: C19H19NO5S
SMILES:   S(=O)(=O)(C)c1ccc(cc1)C(OC(C(=O)N1CCc2c1cccc2)C)=O
InChI:   InChI=1/C19H19NO5S/c1-13(18(21)20-12-11-14-5-3-4-6-17(14)20)25-19(22)15-7-9-16(10-8-15)26(2,23)24/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=97.5506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.429 g/mol  logS: -4.30882  SlogP: 2.22467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0328608  Sterimol/B1: 2.28765  Sterimol/B2: 2.32356  Sterimol/B3: 5.17485
  Sterimol/B4: 6.99889  Sterimol/L: 19.3833 
 
 Surface and Volume Properties
  Accessible surface: 615.386  Positive charged surface: 332.746  Negative charged surface: 282.64  Volume: 336.375
  Hydrophobic surface: 474.446  Hydrophilic surface: 140.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.