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PUBCHEM-ZINC05487936

 MMsINC code: MMs03283706
Type: Neutral
Formula: C32H26F2N2S2
SMILES:   S(CCCCCCSc1c2cc(F)ccc2nc2c1cccc2)c1c2cc(F)ccc2nc2c1cccc2
InChI:   InChI=1/C32H26F2N2S2/c33-21-13-15-29-25(19-21)31(23-9-3-5-11-27(23)35-29)37-17-7-1-2-8-18-38-32-24-10-4-6-12-28(24)36-30-16-14-22(34)20-26(30)32/h3-6,9-16,19-20H,1-2,7-8,17-18H2

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Potential Energy
Epot(MMFF94)=122.775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 540.702 g/mol  logS: -11.4895  SlogP: 9.8124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0185443  Sterimol/B1: 2.4385  Sterimol/B2: 3.49534  Sterimol/B3: 4.28162
  Sterimol/B4: 9.8846  Sterimol/L: 21.4224 
 
 Surface and Volume Properties
  Accessible surface: 861.578  Positive charged surface: 457.6  Negative charged surface: 387.498  Volume: 504.375
  Hydrophobic surface: 767.396  Hydrophilic surface: 94.182
 
 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.