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ENAMINE-ZINC03564042

 MMsINC code: MMs01510403
Type: Neutral
Formula: C24H22ClFN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2ccc(F)cc2)c2ccc(cc2)C(=O)C)c
c1
InChI:   InChI=1/C24H22ClFN2O4S/c1-16(18-3-9-21(26)10-4-18)27-24(30)15-28(22-11-5-19(6-12-22)17(2)29)33(31,32)23-13-7-20(25)8-14-23/h3-14,16H,15H2,1-2H3,(H,27,30)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.967 g/mol  logS: -6.73152  SlogP: 4.8499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171239  Sterimol/B1: 4.22813  Sterimol/B2: 5.58366  Sterimol/B3: 6.14018
  Sterimol/B4: 7.55469  Sterimol/L: 17.0081 
 
 Surface and Volume Properties
  Accessible surface: 716.548  Positive charged surface: 335.542  Negative charged surface: 381.006  Volume: 428
  Hydrophobic surface: 578.61  Hydrophilic surface: 137.938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.