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ENAMINE-ZINC03383993

 MMsINC code: MMs01408979
Type: Neutral
Formula: C19H18N2O6S
SMILES:   S(=O)(=O)(N(C)C)c1ccc(cc1)C(OCCN1C(=O)c2c(cccc2)C1=O)=O
InChI:   InChI=1/C19H18N2O6S/c1-20(2)28(25,26)14-9-7-13(8-10-14)19(24)27-12-11-21-17(22)15-5-3-4-6-16(15)18(21)23/h3-10H,11-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=54.7003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.427 g/mol  logS: -4.02436  SlogP: 1.3899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0762608  Sterimol/B1: 3.61243  Sterimol/B2: 3.63694  Sterimol/B3: 3.94613
  Sterimol/B4: 8.03691  Sterimol/L: 15.9191 
 
 Surface and Volume Properties
  Accessible surface: 636.653  Positive charged surface: 385.739  Negative charged surface: 250.915  Volume: 351.625
  Hydrophobic surface: 482.976  Hydrophilic surface: 153.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.