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PUBCHEM-ZINC05487934

 MMsINC code: MMs03283705
Type: Neutral
Formula: C31H24F2N2S2
SMILES:   S(CCCCCSc1c2c(nc3c1cccc3)c(F)ccc2)c1c2c(nc3c1cccc3)c(F)ccc2
InChI:   InChI=1/C31H24F2N2S2/c32-24-14-8-12-22-28(24)34-26-16-4-2-10-20(26)30(22)36-18-6-1-7-19-37-31-21-11-3-5-17-27(21)35-29-23(31)13-9-15-25(29)33/h2-5,8-17H,1,6-7,18-19H2

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Potential Energy
Epot(MMFF94)=139.554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 526.675 g/mol  logS: -11.2877  SlogP: 9.4223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0491656  Sterimol/B1: 2.43758  Sterimol/B2: 3.90278  Sterimol/B3: 3.99081
  Sterimol/B4: 9.64186  Sterimol/L: 19.4434 
 
 Surface and Volume Properties
  Accessible surface: 829.889  Positive charged surface: 438.786  Negative charged surface: 374.474  Volume: 485.25
  Hydrophobic surface: 736.892  Hydrophilic surface: 92.997
 
 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.