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PUBCHEM-ZINC02680347

 MMsINC code: MMs02909539
Type: Neutral
Formula: C24H27N3O6S
SMILES:   S(=O)(=O)(N1CCOCC1)c1ccc(NC(=O)CCCCCN2C(=O)c3c(cccc3)C2=O)cc
1
InChI:   InChI=1/C24H27N3O6S/c28-22(8-2-1-5-13-27-23(29)20-6-3-4-7-21(20)24(27)30)25-18-9-11-19(12-10-18)34(31,32)26-14-16-33-17-15-26/h3-4,6-7,9-12H,1-2,5,8,13-17H2,(H,25,28)

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Potential Energy
Epot(MMFF94)=81.4913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 485.561 g/mol  logS: -4.62343  SlogP: 2.5026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0247358  Sterimol/B1: 2.84622  Sterimol/B2: 2.97891  Sterimol/B3: 5.35405
  Sterimol/B4: 6.54131  Sterimol/L: 24.9205 
 
 Surface and Volume Properties
  Accessible surface: 792.79  Positive charged surface: 510.704  Negative charged surface: 282.086  Volume: 438.875
  Hydrophobic surface: 607.573  Hydrophilic surface: 185.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.