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PUBCHEM-ZINC02629500

 MMsINC code: MMs02907929
Type: Neutral
Formula: C21H18N2O4S
SMILES:   S1(=O)(=O)N(CC(=O)c2cc(n(c2C)-c2ccccc2)C)C(=O)c2c1cccc2
InChI:   InChI=1/C21H18N2O4S/c1-14-12-18(15(2)23(14)16-8-4-3-5-9-16)19(24)13-22-21(25)17-10-6-7-11-20(17)28(22,26)27/h3-12H,13H2,1-2H3

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Potential Energy
Epot(MMFF94)=85.8761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.451 g/mol  logS: -4.71359  SlogP: 3.12154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606125  Sterimol/B1: 2.34017  Sterimol/B2: 3.85356  Sterimol/B3: 4.28656
  Sterimol/B4: 6.5481  Sterimol/L: 19.2297 
 
 Surface and Volume Properties
  Accessible surface: 635.515  Positive charged surface: 324.922  Negative charged surface: 310.592  Volume: 357.875
  Hydrophobic surface: 506.349  Hydrophilic surface: 129.166
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.