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CHEMDIV-ZINC01510464

 MMsINC code: MMs00867053
Type: Neutral
Formula: C22H24N4O5S
SMILES:   S(=O)(=O)(N1CCOCC1)c1ccc(cc1)C(=O)NC=1C(=O)N(N(C)C=1C)c1cccc
c1
InChI:   InChI=1/C22H24N4O5S/c1-16-20(22(28)26(24(16)2)18-6-4-3-5-7-18)23-21(27)17-8-10-19(11-9-17)32(29,30)25-12-14-31-15-13-25/h3-11H,12-15H2,1-2H3,(H,23,27)

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Potential Energy
Epot(MMFF94)=157.829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.523 g/mol  logS: -4.19248  SlogP: 1.5624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474223  Sterimol/B1: 2.0025  Sterimol/B2: 3.92291  Sterimol/B3: 4.67203
  Sterimol/B4: 8.86065  Sterimol/L: 20.0225 
 
 Surface and Volume Properties
  Accessible surface: 721.323  Positive charged surface: 448.513  Negative charged surface: 272.811  Volume: 410.375
  Hydrophobic surface: 587.758  Hydrophilic surface: 133.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.