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OAKWOOD-ZINC04268515

 MMsINC code: MMs02550641
Type: Neutral
Formula: C10H8FNO2S
SMILES:   s1c2c(cc(F)cc2)c(N)c1C(OC)=O
InChI:   InChI=1/C10H8FNO2S/c1-14-10(13)9-8(12)6-4-5(11)2-3-7(6)15-9/h2-4H,12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.0863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.243 g/mol  logS: -3.43582  SlogP: 2.4092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00694065  Sterimol/B1: 2.37469  Sterimol/B2: 2.3754  Sterimol/B3: 3.63919
  Sterimol/B4: 4.78618  Sterimol/L: 13.0868 
 
 Surface and Volume Properties
  Accessible surface: 394.541  Positive charged surface: 220.136  Negative charged surface: 168.819  Volume: 188.75
  Hydrophobic surface: 314.385  Hydrophilic surface: 80.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.