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COMGENEX-ZINC06835486

 MMsINC code: MMs01214298
Type: Neutral
Formula: C13H15FN2O2S
SMILES:   S1CC(=O)N(CC(=O)NCC)C1c1cc(F)ccc1
InChI:   InChI=1/C13H15FN2O2S/c1-2-15-11(17)7-16-12(18)8-19-13(16)9-4-3-5-10(14)6-9/h3-6,13H,2,7-8H2,1H3,(H,15,17)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.5937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.339 g/mol  logS: -3.24123  SlogP: 1.6313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138316  Sterimol/B1: 3.50566  Sterimol/B2: 3.9608  Sterimol/B3: 4.17169
  Sterimol/B4: 6.75494  Sterimol/L: 12.7686 
 
 Surface and Volume Properties
  Accessible surface: 499.252  Positive charged surface: 296.198  Negative charged surface: 203.054  Volume: 254.75
  Hydrophobic surface: 359.147  Hydrophilic surface: 140.105
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.