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PUBCHEM-ZINC02050688

 MMsINC code: MMs02866480
Type: Neutral
Formula: C26H20N2OS
SMILES:   s1c2c(nc1-c1cc(NC(=O)c3c4c(cccc4)c(cc3)C)c(cc1)C)cccc2
InChI:   InChI=1/C26H20N2OS/c1-16-12-14-21(20-8-4-3-7-19(16)20)25(29)27-23-15-18(13-11-17(23)2)26-28-22-9-5-6-10-24(22)30-26/h3-15H,1-2H3,(H,27,29)

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Potential Energy
Epot(MMFF94)=134.442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.525 g/mol  logS: -9.23791  SlogP: 6.98564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0156266  Sterimol/B1: 2.28479  Sterimol/B2: 3.55835  Sterimol/B3: 5.48907
  Sterimol/B4: 7.24368  Sterimol/L: 19.4839 
 
 Surface and Volume Properties
  Accessible surface: 687.623  Positive charged surface: 362.276  Negative charged surface: 313.392  Volume: 393.5
  Hydrophobic surface: 644.206  Hydrophilic surface: 43.417
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.