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COMGENEX-ZINC05097187

 MMsINC code: MMs01174965
Type: Neutral
Formula: C19H23FN2O4S
SMILES:   S(Oc1ccc(cc1)CN(C(C)C)C(=O)NCC)(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C19H23FN2O4S/c1-4-21-19(23)22(14(2)3)13-15-5-9-17(10-6-15)26-27(24,25)18-11-7-16(20)8-12-18/h5-12,14H,4,13H2,1-3H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=73.3725 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.467 g/mol  logS: -4.64018  SlogP: 3.7997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0911182  Sterimol/B1: 2.5345  Sterimol/B2: 2.66736  Sterimol/B3: 5.17444
  Sterimol/B4: 7.49995  Sterimol/L: 15.9866 
 
 Surface and Volume Properties
  Accessible surface: 621.859  Positive charged surface: 352.047  Negative charged surface: 269.812  Volume: 357.625
  Hydrophobic surface: 456.509  Hydrophilic surface: 165.35
 
 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.