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ENAMINE-ZINC03275254

 MMsINC code: MMs01344887
Type: Neutral
Formula: C26H22N2O6S
SMILES:   S(=O)(=O)(N1CCCc2c1cccc2)c1cc(ccc1)C(OCCN1C(=O)c2c(cccc2)C1=
O)=O
InChI:   InChI=1/C26H22N2O6S/c29-24-21-11-2-3-12-22(21)25(30)27(24)15-16-34-26(31)19-8-5-10-20(17-19)35(32,33)28-14-6-9-18-7-1-4-13-23(18)28/h1-5,7-8,10-13,17H,6,9,14-16H2

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Potential Energy
Epot(MMFF94)=102.708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.536 g/mol  logS: -6.23386  SlogP: 3.28107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437196  Sterimol/B1: 2.54108  Sterimol/B2: 4.02008  Sterimol/B3: 4.22903
  Sterimol/B4: 7.90245  Sterimol/L: 19.8464 
 
 Surface and Volume Properties
  Accessible surface: 733.776  Positive charged surface: 415.607  Negative charged surface: 318.169  Volume: 430.125
  Hydrophobic surface: 585.731  Hydrophilic surface: 148.045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.