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PUBCHEM-ZINC05487938

 MMsINC code: MMs03283708
Type: Neutral
Formula: C32H26F2N2S2
SMILES:   S(CCCCCCSc1c2c(nc3c1cccc3)c(F)ccc2)c1c2c(nc3c1cccc3)c(F)ccc2
InChI:   InChI=1/C32H26F2N2S2/c33-25-15-9-13-23-29(25)35-27-17-5-3-11-21(27)31(23)37-19-7-1-2-8-20-38-32-22-12-4-6-18-28(22)36-30-24(32)14-10-16-26(30)34/h3-6,9-18H,1-2,7-8,19-20H2

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Potential Energy
Epot(MMFF94)=139.703 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: 0.0186823  Sterimol/B1: 2.43816  Sterimol/B2: 3.49176  Sterimol/B3: 4.29893
  Sterimol/B4: 9.63321  Sterimol/L: 21.914 
 
 Surface and Volume Properties
  Accessible surface: 858.977  Positive charged surface: 464.948  Negative charged surface: 377.549  Volume: 506.75
  Hydrophobic surface: 768.164  Hydrophilic surface: 90.813
 
 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.