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ENAMINE-ZINC03544695

 MMsINC code: MMs01500113
Type: Neutral
Formula: C23H26N2O5S
SMILES:   S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(OC(C(=O)N1CCc2c1cccc2)C)=O
InChI:   InChI=1/C23H26N2O5S/c1-17(22(26)25-16-13-18-7-3-4-8-21(18)25)30-23(27)19-9-11-20(12-10-19)31(28,29)24-14-5-2-6-15-24/h3-4,7-12,17H,2,5-6,13-16H2,1H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=86.6425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.536 g/mol  logS: -4.83584  SlogP: 2.99577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0340184  Sterimol/B1: 2.13084  Sterimol/B2: 2.92816  Sterimol/B3: 6.20619
  Sterimol/B4: 6.84208  Sterimol/L: 21.735 
 
 Surface and Volume Properties
  Accessible surface: 708.998  Positive charged surface: 438.368  Negative charged surface: 270.63  Volume: 405.75
  Hydrophobic surface: 579.982  Hydrophilic surface: 129.016
 
 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.