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PUBCHEM-ZINC05487254

 MMsINC code: MMs03283497
Type: Neutral
Formula: C34H32N2S2
SMILES:   S(CCCCCCCCSc1c2c(nc3c1cccc3)cccc2)c1c2c(nc3c1cccc3)cccc2
InChI:   InChI=1/C34H32N2S2/c1(3-13-23-37-33-25-15-5-9-19-29(25)35-30-20-10-6-16-26(30)33)2-4-14-24-38-34-27-17-7-11-21-31(27)36-32-22-12-8-18-28(32)34/h5-12,15-22H,1-4,13-14,23-24H2

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Potential Energy
Epot(MMFF94)=128.011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 532.776 g/mol  logS: -11.93  SlogP: 10.3144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0166049  Sterimol/B1: 2.43787  Sterimol/B2: 3.58983  Sterimol/B3: 4.3098
  Sterimol/B4: 9.63344  Sterimol/L: 23.7459 
 
 Surface and Volume Properties
  Accessible surface: 913.996  Positive charged surface: 534.919  Negative charged surface: 362.598  Volume: 534.875
  Hydrophobic surface: 819.813  Hydrophilic surface: 94.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.