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PUBCHEM-ZINC02004856

 MMsINC code: MMs02845461
Type: Neutral
Formula: C16H10FNS
SMILES:   S1Cc2c(nc3c(c2)cccc3)-c2cc(F)ccc12
InChI:   InChI=1/C16H10FNS/c17-12-5-6-15-13(8-12)16-11(9-19-15)7-10-3-1-2-4-14(10)18-16/h1-8H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.4116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.327 g/mol  logS: -5.80738  SlogP: 4.913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0155637  Sterimol/B1: 2.81125  Sterimol/B2: 2.96108  Sterimol/B3: 4.21893
  Sterimol/B4: 5.33545  Sterimol/L: 14.1513 
 
 Surface and Volume Properties
  Accessible surface: 460.977  Positive charged surface: 221.873  Negative charged surface: 228.372  Volume: 241.25
  Hydrophobic surface: 394.272  Hydrophilic surface: 66.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.