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ENAMINE-ZINC06561151

 MMsINC code: MMs01674716
Type: Neutral
Formula: C20H23FN2O3S
SMILES:   S(CCC(NC(=O)c1ccccc1OC)C(=O)NCc1ccc(F)cc1)C
InChI:   InChI=1/C20H23FN2O3S/c1-26-18-6-4-3-5-16(18)19(24)23-17(11-12-27-2)20(25)22-13-14-7-9-15(21)10-8-14/h3-10,17H,11-13H2,1-2H3,(H,22,25)(H,23,24)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.1488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.479 g/mol  logS: -5.01049  SlogP: 3.2686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0759767  Sterimol/B1: 2.19341  Sterimol/B2: 5.70381  Sterimol/B3: 5.71837
  Sterimol/B4: 6.40226  Sterimol/L: 18.368 
 
 Surface and Volume Properties
  Accessible surface: 691.529  Positive charged surface: 415.985  Negative charged surface: 275.544  Volume: 367.75
  Hydrophobic surface: 586.495  Hydrophilic surface: 105.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.