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ENAMINE-ZINC02314490

 MMsINC code: MMs01249802
Type: Neutral
Formula: C23H20N2O3S2
SMILES:   s1c2cc(S(=O)(=O)C)ccc2nc1NC(=O)CC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H20N2O3S2/c1-30(27,28)18-12-13-20-21(14-18)29-23(24-20)25-22(26)15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19H,15H2,1H3,(H,24,25,26)

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Potential Energy
Epot(MMFF94)=97.8552 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.556 g/mol  logS: -6.36826  SlogP: 4.8605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628541  Sterimol/B1: 3.32164  Sterimol/B2: 4.86584  Sterimol/B3: 5.18572
  Sterimol/B4: 5.54251  Sterimol/L: 20.629 
 
 Surface and Volume Properties
  Accessible surface: 706.156  Positive charged surface: 365.348  Negative charged surface: 340.808  Volume: 395.25
  Hydrophobic surface: 577.862  Hydrophilic surface: 128.294
 
 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.