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ENAMINE-ZINC03328626

 MMsINC code: MMs01375166
Type: Neutral
Formula: C24H23ClN2O5S
SMILES:   Clc1cc(S(=O)(=O)NC(C(OCC(=O)NC(c2ccccc2)c2ccccc2)=O)C)ccc1
InChI:   InChI=1/C24H23ClN2O5S/c1-17(27-33(30,31)21-14-8-13-20(25)15-21)24(29)32-16-22(28)26-23(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-15,17,23,27H,16H2,1H3,(H,26,28)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=71.4484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.976 g/mol  logS: -6.4009  SlogP: 3.5513  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0908037  Sterimol/B1: 2.24564  Sterimol/B2: 2.48159  Sterimol/B3: 6.47066
  Sterimol/B4: 9.21438  Sterimol/L: 18.3906 
 
 Surface and Volume Properties
  Accessible surface: 780.148  Positive charged surface: 380.826  Negative charged surface: 399.322  Volume: 434.375
  Hydrophobic surface: 621.596  Hydrophilic surface: 158.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.