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COMGENEX-ZINC06766229

 MMsINC code: MMs01201710
Type: Neutral
Formula: C20H25FN2O4S
SMILES:   S(Oc1ccc(cc1)CN(C(C)C)C(=O)NC(C)C)(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C20H25FN2O4S/c1-14(2)22-20(24)23(15(3)4)13-16-5-9-18(10-6-16)27-28(25,26)19-11-7-17(21)8-12-19/h5-12,14-15H,13H2,1-4H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=76.9943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.494 g/mol  logS: -4.96739  SlogP: 4.1882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0952125  Sterimol/B1: 2.62644  Sterimol/B2: 3.31066  Sterimol/B3: 4.69915
  Sterimol/B4: 7.55334  Sterimol/L: 15.7605 
 
 Surface and Volume Properties
  Accessible surface: 638.723  Positive charged surface: 356.454  Negative charged surface: 282.269  Volume: 376.875
  Hydrophobic surface: 467.341  Hydrophilic surface: 171.382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.