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ENAMINE-ZINC03294736

 MMsINC code: MMs01355219
Type: Neutral
Formula: C23H30N2O5S2
SMILES:   s1cccc1S(=O)(=O)N1CCC(CC1)C(OCC(=O)N(Cc1ccccc1)C(C)(C)C)=O
InChI:   InChI=1/C23H30N2O5S2/c1-23(2,3)25(16-18-8-5-4-6-9-18)20(26)17-30-22(27)19-11-13-24(14-12-19)32(28,29)21-10-7-15-31-21/h4-10,15,19H,11-14,16-17H2,1-3H3

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Potential Energy
Epot(MMFF94)=130.224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.634 g/mol  logS: -4.79659  SlogP: 3.7857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0438057  Sterimol/B1: 3.52315  Sterimol/B2: 3.96791  Sterimol/B3: 3.98753
  Sterimol/B4: 8.00909  Sterimol/L: 20.3401 
 
 Surface and Volume Properties
  Accessible surface: 742.97  Positive charged surface: 422.888  Negative charged surface: 320.082  Volume: 436.125
  Hydrophobic surface: 582.176  Hydrophilic surface: 160.794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.