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PUBCHEM-ZINC05487914

 MMsINC code: MMs03283694
Type: Neutral
Formula: C31H24F2N2S2
SMILES:   S(CCCCCSc1c2cc(F)ccc2nc2c1cccc2)c1c2cc(F)ccc2nc2c1cccc2
InChI:   InChI=1/C31H24F2N2S2/c32-20-12-14-28-24(18-20)30(22-8-2-4-10-26(22)34-28)36-16-6-1-7-17-37-31-23-9-3-5-11-27(23)35-29-15-13-21(33)19-25(29)31/h2-5,8-15,18-19H,1,6-7,16-17H2

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Potential Energy
Epot(MMFF94)=122.682 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: 0.0485194  Sterimol/B1: 2.67466  Sterimol/B2: 3.69964  Sterimol/B3: 3.9909
  Sterimol/B4: 9.88518  Sterimol/L: 19.0417 
 
 Surface and Volume Properties
  Accessible surface: 829.783  Positive charged surface: 432.118  Negative charged surface: 381.035  Volume: 487.375
  Hydrophobic surface: 733.599  Hydrophilic surface: 96.184
 
 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.