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PUBCHEM-ZINC02004848

 MMsINC code: MMs02845456
Type: Neutral
Formula: C16H10FNS
SMILES:   S1c2c(-c3nc4c(cc3C1)cccc4)cccc2F
InChI:   InChI=1/C16H10FNS/c17-13-6-3-5-12-15-11(9-19-16(12)13)8-10-4-1-2-7-14(10)18-15/h1-8H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.1165 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: 0.0155942  Sterimol/B1: 2.82243  Sterimol/B2: 2.94591  Sterimol/B3: 4.0528
  Sterimol/B4: 5.28023  Sterimol/L: 14.1387 
 
 Surface and Volume Properties
  Accessible surface: 459.053  Positive charged surface: 224.91  Negative charged surface: 223.411  Volume: 240.75
  Hydrophobic surface: 394.05  Hydrophilic surface: 65.003
 
 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.