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ENAMINE-ZINC03448301

 MMsINC code: MMs01448767
Type: Neutral
Formula: C24H28N2O5S
SMILES:   S(=O)(=O)(N1CCCCC1)c1cc(ccc1C)C(OCC(=O)N1CCc2c(C1)cccc2)=O
InChI:   InChI=1/C24H28N2O5S/c1-18-9-10-20(15-22(18)32(29,30)26-12-5-2-6-13-26)24(28)31-17-23(27)25-14-11-19-7-3-4-8-21(19)16-25/h3-4,7-10,15H,2,5-6,11-14,16-17H2,1H3

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Potential Energy
Epot(MMFF94)=91.8432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.563 g/mol  logS: -4.61314  SlogP: 3.17769  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.031592  Sterimol/B1: 2.63661  Sterimol/B2: 3.54388  Sterimol/B3: 4.75944
  Sterimol/B4: 7.1443  Sterimol/L: 22.1066 
 
 Surface and Volume Properties
  Accessible surface: 731.571  Positive charged surface: 460.271  Negative charged surface: 271.3  Volume: 422.375
  Hydrophobic surface: 606.995  Hydrophilic surface: 124.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.