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ENAMINE-ZINC03544763

 MMsINC code: MMs01500160
Type: Neutral
Formula: C25H24N2O5S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(OC(C(=O)N1CCc2c1cccc2)C)=
O
InChI:   InChI=1/C25H24N2O5S/c1-18(24(28)27-17-16-19-8-6-7-11-23(19)27)32-25(29)20-12-14-22(15-13-20)33(30,31)26(2)21-9-4-3-5-10-21/h3-15,18H,16-17H2,1-2H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=118.712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.542 g/mol  logS: -5.90555  SlogP: 3.64627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0326237  Sterimol/B1: 2.31723  Sterimol/B2: 2.52269  Sterimol/B3: 5.49983
  Sterimol/B4: 6.73224  Sterimol/L: 22.0732 
 
 Surface and Volume Properties
  Accessible surface: 743.835  Positive charged surface: 428.689  Negative charged surface: 315.146  Volume: 427.875
  Hydrophobic surface: 617.346  Hydrophilic surface: 126.489
 
 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.