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ENAMINE-ZINC03342332

 MMsINC code: MMs01383880
Type: Neutral
Formula: C20H23FN2O2S
SMILES:   S(CCC(NC(=O)c1cc(ccc1)C)C(=O)NCc1ccccc1F)C
InChI:   InChI=1/C20H23FN2O2S/c1-14-6-5-8-15(12-14)19(24)23-18(10-11-26-2)20(25)22-13-16-7-3-4-9-17(16)21/h3-9,12,18H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.7328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.48 g/mol  logS: -5.43403  SlogP: 3.56842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.059921  Sterimol/B1: 2.97242  Sterimol/B2: 4.11153  Sterimol/B3: 4.69509
  Sterimol/B4: 7.83511  Sterimol/L: 19.2225 
 
 Surface and Volume Properties
  Accessible surface: 678.145  Positive charged surface: 377.479  Negative charged surface: 300.667  Volume: 360.25
  Hydrophobic surface: 572.369  Hydrophilic surface: 105.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.