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ENAMINE-ZINC07004084

 MMsINC code: MMs01718769
Type: Neutral
Formula: C24H34N2O3S
SMILES:   S(=O)(=O)(N(CCC(C)C)CC(=O)NCc1ccccc1)c1c(C)c(cc(C)c1C)C
InChI:   InChI=1/C24H34N2O3S/c1-17(2)12-13-26(16-23(27)25-15-22-10-8-7-9-11-22)30(28,29)24-20(5)18(3)14-19(4)21(24)6/h7-11,14,17H,12-13,15-16H2,1-6H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.613 g/mol  logS: -6.06711  SlogP: 4.53988  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129381  Sterimol/B1: 2.65022  Sterimol/B2: 4.32734  Sterimol/B3: 4.61993
  Sterimol/B4: 10.3699  Sterimol/L: 16.5813 
 
 Surface and Volume Properties
  Accessible surface: 700.378  Positive charged surface: 432.722  Negative charged surface: 267.656  Volume: 432.375
  Hydrophobic surface: 588.249  Hydrophilic surface: 112.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.