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ENAMINE-ZINC05392607

 MMsINC code: MMs01610089
Type: Neutral
Formula: C23H24N2O3S
SMILES:   S(=O)(=O)(N1CCN(CC1)C(=O)c1cc2c(cc1)cccc2)c1cc(ccc1C)C
InChI:   InChI=1/C23H24N2O3S/c1-17-7-8-18(2)22(15-17)29(27,28)25-13-11-24(12-14-25)23(26)21-10-9-19-5-3-4-6-20(19)16-21/h3-10,15-16H,11-14H2,1-2H3

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Potential Energy
Epot(MMFF94)=134.739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.522 g/mol  logS: -5.79403  SlogP: 3.60334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0796914  Sterimol/B1: 3.96644  Sterimol/B2: 4.55879  Sterimol/B3: 4.70245
  Sterimol/B4: 5.20159  Sterimol/L: 19.1106 
 
 Surface and Volume Properties
  Accessible surface: 658.045  Positive charged surface: 366.945  Negative charged surface: 279.397  Volume: 381.375
  Hydrophobic surface: 573.412  Hydrophilic surface: 84.633
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.