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ENAMINE-ZINC03544734

 MMsINC code: MMs01500145
Type: Neutral
Formula: C25H24N2O5S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1cc(ccc1)C(OC(C(=O)N1CCc2c1cccc2)C)=
O
InChI:   InChI=1/C25H24N2O5S/c1-18(24(28)27-16-15-19-9-6-7-14-23(19)27)32-25(29)20-10-8-13-22(17-20)33(30,31)26(2)21-11-4-3-5-12-21/h3-14,17-18H,15-16H2,1-2H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=115.606 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: 0.060945  Sterimol/B1: 2.58158  Sterimol/B2: 3.12776  Sterimol/B3: 5.75091
  Sterimol/B4: 7.44812  Sterimol/L: 21.5779 
 
 Surface and Volume Properties
  Accessible surface: 743.106  Positive charged surface: 430.647  Negative charged surface: 312.46  Volume: 428.625
  Hydrophobic surface: 614.812  Hydrophilic surface: 128.294
 
 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.