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PUBCHEM-ZINC06350729

 MMsINC code: MMs03680690
Type: Neutral
Formula: C19H25FN2O3S
SMILES:   S1CC(N(C(=O)c2ccc(F)cc2)C1C1CCCCC1)C(=O)NOCC
InChI:   InChI=1/C19H25FN2O3S/c1-2-25-21-17(23)16-12-26-19(14-6-4-3-5-7-14)22(16)18(24)13-8-10-15(20)11-9-13/h8-11,14,16,19H,2-7,12H2,1H3,(H,21,23)/t16-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=207.156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.484 g/mol  logS: -5.67016  SlogP: 3.3574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118204  Sterimol/B1: 3.17651  Sterimol/B2: 5.09904  Sterimol/B3: 5.15576
  Sterimol/B4: 5.70264  Sterimol/L: 16.326 
 
 Surface and Volume Properties
  Accessible surface: 596.885  Positive charged surface: 382.078  Negative charged surface: 214.806  Volume: 346.875
  Hydrophobic surface: 472.05  Hydrophilic surface: 124.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.