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ENAMINE-ZINC03431851

 MMsINC code: MMs01438184
Type: Neutral
Formula: C24H22N2O5S
SMILES:   S(=O)(=O)(N1CCc2c1cccc2)c1cc(ccc1)C(OCC(=O)N(C)c1ccccc1)=O
InChI:   InChI=1/C24H22N2O5S/c1-25(20-10-3-2-4-11-20)23(27)17-31-24(28)19-9-7-12-21(16-19)32(29,30)26-15-14-18-8-5-6-13-22(18)26/h2-13,16H,14-15,17H2,1H3

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Potential Energy
Epot(MMFF94)=122.647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.515 g/mol  logS: -5.57834  SlogP: 3.25777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0556955  Sterimol/B1: 2.21813  Sterimol/B2: 4.14414  Sterimol/B3: 4.79624
  Sterimol/B4: 6.9703  Sterimol/L: 21.2091 
 
 Surface and Volume Properties
  Accessible surface: 724.566  Positive charged surface: 419.466  Negative charged surface: 305.101  Volume: 409
  Hydrophobic surface: 604.931  Hydrophilic surface: 119.635
 
 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.