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ENAMINE-ZINC03477356

 MMsINC code: MMs01464103
Type: Neutral
Formula: C20H23FN2O2S
SMILES:   S(CCC(NC(=O)c1ccccc1C)C(=O)NCc1ccc(F)cc1)C
InChI:   InChI=1/C20H23FN2O2S/c1-14-5-3-4-6-17(14)19(24)23-18(11-12-26-2)20(25)22-13-15-7-9-16(21)10-8-15/h3-10,18H,11-13H2,1-2H3,(H,22,25)(H,23,24)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.0349 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: 0.065986  Sterimol/B1: 2.49097  Sterimol/B2: 5.12412  Sterimol/B3: 5.69968
  Sterimol/B4: 6.52723  Sterimol/L: 18.4531 
 
 Surface and Volume Properties
  Accessible surface: 659.72  Positive charged surface: 366.326  Negative charged surface: 293.394  Volume: 358.125
  Hydrophobic surface: 557.761  Hydrophilic surface: 101.959
 
 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.