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PUBCHEM-ZINC00700437

 MMsINC code: MMs02730783
Type: Neutral
Formula: C24H25FN2O3S2
SMILES:   s1cccc1CN(Cc1ccc(F)cc1)C(=O)CN(S(=O)(=O)c1ccc(cc1)C)C1CC1
InChI:   InChI=1/C24H25FN2O3S2/c1-18-4-12-23(13-5-18)32(29,30)27(21-10-11-21)17-24(28)26(16-22-3-2-14-31-22)15-19-6-8-20(25)9-7-19/h2-9,12-14,21H,10-11,15-17H2,1H3

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Potential Energy
Epot(MMFF94)=96.3551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.605 g/mol  logS: -6.02877  SlogP: 5.11052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0713929  Sterimol/B1: 2.38656  Sterimol/B2: 5.45018  Sterimol/B3: 6.04527
  Sterimol/B4: 7.30303  Sterimol/L: 18.152 
 
 Surface and Volume Properties
  Accessible surface: 699.24  Positive charged surface: 359.243  Negative charged surface: 339.997  Volume: 433.5
  Hydrophobic surface: 593.755  Hydrophilic surface: 105.485
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.