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PUBCHEM-ZINC01937500

 MMsINC code: MMs02832681
Type: Neutral
Formula: C24H20N2OS
SMILES:   s1c2cc(ccc2nc1-c1ccc(NC(=O)\C=C\c2ccc(cc2)C)cc1)C
InChI:   InChI=1/C24H20N2OS/c1-16-3-6-18(7-4-16)8-14-23(27)25-20-11-9-19(10-12-20)24-26-21-13-5-17(2)15-22(21)28-24/h3-15H,1-2H3,(H,25,27)/b14-8+

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Potential Energy
Epot(MMFF94)=96.4819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.503 g/mol  logS: -8.1793  SlogP: 6.23204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00538859  Sterimol/B1: 2.52593  Sterimol/B2: 2.83983  Sterimol/B3: 4.03126
  Sterimol/B4: 4.24716  Sterimol/L: 24.6466 
 
 Surface and Volume Properties
  Accessible surface: 704.573  Positive charged surface: 377.452  Negative charged surface: 327.121  Volume: 376.75
  Hydrophobic surface: 634.312  Hydrophilic surface: 70.261
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.